0 B13R0.2 C#CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.2 C#CCCCCNCCC(=O)OCC 2230a_100000706060_100011206558 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.2 C#CCCCCNCCC(=O)OCC 34a_100000706060_100000765890 [0,0,0,0,0,0|1,0,3]=4 3 B13R0.2 C#CCCCCOCCC(=O)OCC 34a_100000766709_100000765890 [0,0,0,0,0,0|1,0,3]=4 4 B13R0.2 C#CCCCCOCCC(=O)OCC 7a_100000766709_100011206558 [0,0,0,0,0,0|1,0,3]=4 5 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100000765890_100010269958 [0,0,0,0,0,0|1,0,3]=4 6 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100010269958_100000765890 [0,0,0,0,0,0|1,0,3]=4 7 B13R0.2 C#CCCCNCCCC(=O)OCC 34a_100000718082_100009991533 [0,0,0,0,0,0|1,0,3]=4 8 B13R0.2 C#CCCCOCCCC(=O)OCC 34a_100000215630_100009991533 [0,0,0,0,0,0|1,0,3]=4 9 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100000215630_100011215271 [0,0,0,0,0,0|1,0,3]=4 10 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100012001163_100011215417 [0,0,0,0,0,0|1,0,3]=4 11 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100009991533_100011215417 [0,0,0,0,0,0|1,0,3]=4 12 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100011215417_100009991533 [0,0,0,0,0,0|1,0,3]=4 13 B13R0.2 C/C=C/CCOCCCC(=O)OCC 34a_100016278192_100009991533 [0,0,0,0,0,0|1,0,3]=4 14 B13R0.2 C=CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000210623 [0,0,0,0,0,0|1,0,2]=3 15 B13R0.2 C=CCCCCNCCC(=O)OCC 2230a_100000703577_100011206558 [0,0,0,0,0,0|1,0,3]=4 16 B13R0.2 C=CCCCCNCCC(=O)OCC 34a_100000703577_100000765890 [0,0,0,0,0,0|1,0,3]=4 17 B13R0.2 C=CCCCCOCCC(=O)OCC 34a_100000766645_100000765890 [0,0,0,0,0,0|1,0,3]=4 18 B13R0.2 C=CCCCCOCCC(=O)OCC 7a_100000766645_100011206558 [0,0,0,0,0,0|1,0,3]=4 19 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100000765890_100011215482 [0,0,0,0,0,0|1,0,3]=4 20 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100011215482_100000765890 [0,0,0,0,0,0|1,0,3]=4 21 B13R0.2 C=CCCCNCCCC(=O)OCC 2230a_100000700776_100009991533 [0,0,0,0,0,0|1,0,3]=4 22 B13R0.2 C=CCCCNCCCC(=O)OCC 34a_100000700776_100009991533 [0,0,0,0,0,0|1,0,3]=4 23 B13R0.2 C=CCCCOCCCC(=O)OCC 34a_100000758997_100009991533 [0,0,0,0,0,0|1,0,3]=4 24 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100000758997_100011215271 [0,0,0,0,0,0|1,0,3]=4 25 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100012001163_100000757094 [0,0,0,0,0,0|1,0,3]=4 26 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100009991533_100000757094 [0,0,0,0,0,0|1,0,3]=4 27 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100011713584_100009991533 [0,0,0,0,0,0|1,0,3]=4 28 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,0,0,0,0,0|1,0,3]=4 29 B13R0.2 CC#CCCOCCCC(=O)OCC 34a_100000750427_100009991533 [0,0,0,0,0,0|1,0,3]=4 30 B13R0.2 CC/C=C\CCOCCC(=O)OCC 34a_100016288707_100000765890 [0,0,0,0,0,0|1,0,3]=4 31 B13R0.2 CC/C=C\CCOCCC(=O)OCC 7a_100016288707_100011206558 [0,0,0,0,0,0|1,0,3]=4 32 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100000765890_100015370543 [0,0,0,0,0,0|1,0,3]=4 33 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100015370543_100000765890 [0,0,0,0,0,0|1,0,3]=4 34 B13R0.2 CC/C=C\COCCCC(=O)OCC 34a_100016268518_100009991533 [0,0,0,0,0,0|1,0,3]=4 35 B13R0.2 CC/C=C\COCCCC(=O)OCC 7a_100012001163_100103147603 [0,0,0,0,0,0|1,0,3]=4 36 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100009991533_100103147603 [0,0,0,0,0,0|1,0,3]=4 37 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100103147603_100009991533 [0,0,0,0,0,0|1,0,3]=4 38 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,0,0,0,0,0|1,0,3]=4 39 B13R0.2 CC=CCCCOCCC(=O)OCC 34a_100020645299_100000765890 [0,0,0,0,0,0|1,0,3]=4 40 B13R0.2 CCC#CCCOCCC(=O)OCC 34a_100000036655_100000765890 [0,0,0,0,0,0|1,0,3]=4 41 B13R0.2 CCC#CCCOCCC(=O)OCC 7a_100000036655_100011206558 [0,0,0,0,0,0|1,0,3]=4 42 B13R0.2 CCC#CCOCCCC(=O)OCC 34a_100000032950_100009991533 [0,0,0,0,0,0|1,0,3]=4 43 B13R0.2 CCC#CCOCCCC(=O)OCC 7a_100012001163_100009813939 [0,0,0,0,0,0|1,0,3]=4 44 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009813939_100009991533 [0,0,0,0,0,0|1,0,3]=4 45 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009991533_100009813939 [0,0,0,0,0,0|1,0,3]=4 46 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [0,0,0,0,0,0|1,0,3]=4 47 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [0,0,0,0,0,0|1,0,3]=4 48 B13R0.2 CCCC#CCOCCC(=O)OCC 34a_100000034806_100000765890 [0,0,0,0,0,0|1,0,3]=4 49 B13R0.2 CCCC#CCOCCC(=O)OCC 7a_100000034806_100011206558 [0,0,0,0,0,0|1,0,3]=4 50 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,0,0,0,0,0|2,0,2]=4 51 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,0,0,0,0,0|2,0,2]=4 52 B13R0.2 CCCC/C=C/COCC(=O)NCC 34a_200016272032_100000183381 [0,0,0,0,0,0|2,0,2]=4 53 B13R0.2 CCCC/C=C/COCC(=O)NCC 7a_200016272032_100000183381 [0,0,0,0,0,0|2,0,2]=4 54 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,0,0,0,0,0|1,0,2]=3 55 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,0,0,0,0,0|1,0,2]=3 56 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,0,0,0,0,0|1,0,3]=4 57 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,0,0,0,0,0|1,0,3]=4 58 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,0,0,0,0,0|1,0,3]=4 59 B13R0.2 CCCCC/C=C/CCC(=O)CC#N 1458a_200015255902_100011214920 [0,0,0,0,0,0|2,0,1]=3 60 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,0,0,0,0,0|1,0,0]=1 61 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,0,0,0,0,0|2,0,0]=2 62 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,0,0,0,0,0|2,0,0]=2 63 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,0,0,0,0,0|1,0,0]=1 64 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,0,0,0,0,0|1,0,0]=1 65 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,0,0,0,0,0|1,0,0]=1 66 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,0,0,0,0,0|2,0,0]=2 67 B13R0.2 CCCCC/C=C/COC(C)CCC 34a_100016258190_100000766640 [0,0,0,0,0,0|3,0,1]=4 68 B13R0.2 CCCCC/C=C/COC(C)CCC 7a_100016258190_100000766640 [0,0,0,0,0,0|3,0,1]=4 69 B13R0.2 CCCCC=CC=NNC(=O)CCC 4a_100000189770_100016268198 [0,0,0,0,0,0|3,0,1]=4 70 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,0,0,0,0,0|1,0,2]=3 71 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,0,0,0,0,0|2,0,2]=4 72 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,0,0,0,0,0|2,0,2]=4 73 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,0,0,0,0,0|1,0,2]=3 74 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,0,0,0,0,0|1,0,2]=3 75 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,0,0,0,0,0|2,0,2]=4 76 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,0,0,0,0,0|3,0,1]=4 77 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,0,0,0,0,0|1,0,2]=3 78 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,0,0,0,0,0|1,0,2]=3 79 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,0,0,0,0,0|2,0,2]=4 80 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,0,0,0,0,0|2,0,2]=4 81 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,0,0,0,0,0|2,0,2]=4 82 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,0,0,0,0,0|2,0,2]=4 83 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,0,0,0,0,0|2,0,2]=4 84 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,0,0,0,0,0|1,0,2]=3 85 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,0,0,0,0,0|1,0,2]=3 86 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,0,0,0,0,0|1,0,2]=3 87 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,0,0,0,0,0|2,0,2]=4 88 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,0,0,0,0,0|1,0,3]=4 89 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,0,0,0,0,0|1,0,3]=4 90 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,0,0,0,0,0|2,0,2]=4 91 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,0,0,0,0,0|2,0,2]=4 92 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,0,0,0,0,0|2,0,2]=4 93 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,0,0,0,0,0|2,0,2]=4 94 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,0,0,0,0,0|2,0,2]=4 95 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,0,0,0,0,0|2,0,2]=4 96 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,0,0,0,0,0|2,0,2]=4 97 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,0,0,0,0,0|2,0,2]=4 98 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,0,0,0,0,0|2,0,2]=4 99 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,0,0,0,0,0|2,0,2]=4 100 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,0,0,0,0,0|2,0,2]=4 101 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,0,0,0,0,0|2,0,2]=4 102 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,0,0,0,0,0|2,0,2]=4 103 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,0,0,0,0,0|1,0,2]=3 104 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,0,0,0,0,0|2,0,2]=4 105 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,0,0,0,0,0|2,0,2]=4 106 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,0,0,0,0,0|2,0,2]=4 107 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,0,0,0,0,0|1,0,2]=3 108 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,0,0,0,0,0|1,0,2]=3 109 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,0,0,0,0,0|2,0,2]=4 110 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,0,0,0,0,0|2,0,2]=4 111 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,0,0,0,0,0|2,0,2]=4 112 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,0,0,0,0,0|2,0,2]=4 113 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,0,0,0,0,0|1,0,2]=3 114 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,0,0,0,0,0|1,0,2]=3 115 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,0,0,0,0,0|2,0,1]=3 116 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,0,0,0,0,0|2,0,1]=3 117 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,0,0,0,0,0|1,0,1]=2 118 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,0,0,0,0,0|3,0,1]=4 119 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,0,0,0,0,0|2,0,1]=3 120 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,0,0,0,0,0|1,0,1]=2 121 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,0,0,0,0,0|1,0,1]=2 122 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,0,0,0,0,0|3,0,1]=4 123 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,0,0,0,0,0|2,0,1]=3 124 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,0,0,0,0,0|2,0,1]=3 125 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,0,0,0,0,0|1,0,1]=2 126 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,0,0,0,0,0|1,0,1]=2 127 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,0,0,0,0,0|3,0,1]=4 128 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,0,0,0,0,0|2,0,1]=3 129 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,0,0,0,0,0|1,0,3]=4 130 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,0,0,0,0,0|1,0,1]=2 131 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,0,0,0,0,0|2,0,2]=4 132 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,0,0,0,0,0|1,0,3]=4 133 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,0,0,0,0,0|1,0,3]=4 134 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,0,0,0,0,0|1,0,1]=2 135 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,0,0,0,0,0|1,0,1]=2 136 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,0,0,0,0,0|1,0,1]=2 137 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,0,0,0,0,0|2,0,1]=3 138 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,0,0,0,0,0|2,0,1]=3 139 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,0,0,0,0,0|1,0,3]=4 140 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,0,0,0,0,0|1,0,3]=4 141 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,0,0,0,0,0|1,0,1]=2 142 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,0,0,0,0,0|1,0,1]=2 143 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,0,0,0,0,0|2,0,1]=3 144 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,0,0,0,0,0|1,0,2]=3 145 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,0,0,0,0,0|1,0,2]=3 146 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,0,0,0,0,0|2,0,2]=4 147 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,0,0,0,0,0|2,0,2]=4 148 B13R0.2 CCCCNN=CC=CC(=O)OCC 4a_100025702795_100016289910 [0,0,0,0,0,0|2,0,2]=4 149 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,0,0,0,0,0|1,0,2]=3 150 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,0,0,0,0,0|1,0,2]=3 151 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,0,0,0,0,0|2,0,2]=4 152 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,0,0,0,0,0|2,0,2]=4 153 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,0,0,0,0,0|2,0,2]=4 154 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,0,0,0,0,0|2,0,2]=4 155 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,0,0,0,0,0|2,0,2]=4 156 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,0,0,0,0,0|2,0,2]=4 157 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,0,0,0,0,0|2,0,2]=4 158 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,0,0,0,0,0|3,0,1]=4 159 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,0,0,0,0,0|3,0,1]=4 160 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,0,0,0,0,0|3,0,1]=4 161 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,0,0,0,0,0|2,0,1]=3 162 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,0,0,0,0,0|2,0,1]=3 163 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,0,0,0,0,0|3,0,1]=4 164 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,0,0,0,0,0|3,0,1]=4 165 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,0,0,0,0,0|1,0,2]=3 166 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,0,0,0,0,0|1,0,2]=3 167 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,0,0,0,0,0|2,0,2]=4 168 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,0,0,0,0,0|2,0,2]=4 169 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,0,0,0,0,0|2,0,2]=4 170 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,0,0,0,0,0|2,0,2]=4 171 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,0,0,0,0,0|2,0,2]=4 172 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,0,0,0,0,0|1,0,2]=3 173 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,0,0,0,0,0|1,0,2]=3 174 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,0,0,0,0,0|2,0,2]=4 175 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,0,0,0,0,0|2,0,2]=4 176 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,0,0,0,0,0|2,0,2]=4 177 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,0,0,0,0,0|3,0,1]=4 178 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,0,0,0,0,0|3,0,1]=4 179 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,0,0,0,0,0|2,0,1]=3 180 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,0,0,0,0,0|2,0,1]=3 181 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,0,0,0,0,0|3,0,1]=4 182 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,0,0,0,0,0|2,0,1]=3 183 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,0,0,0,0,0|2,0,1]=3 184 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,0,0,0,0,0|3,0,1]=4 185 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,0,0,0,0,0|3,0,1]=4 186 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,0,0,0,0,0|2,0,1]=3 187 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,0,0,0,0,0|2,0,1]=3 188 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,0,0,0,0,0|3,0,1]=4 189 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,0,0,0,0,0|1,0,2]=3 190 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,0,0,0,0,0|1,0,2]=3 191 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,0,0,0,0,0|2,0,2]=4 192 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,0,0,0,0,0|2,0,2]=4 193 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,0,0,0,0,0|3,0,1]=4 194 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,0,0,0,0,0|2,0,1]=3 195 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,0,0,0,0,0|3,0,1]=4 196 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,0,0,0,0,0|2,0,1]=3 197 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,0,0,0,0,0|2,0,1]=3 198 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,0,0,0,0,0|2,0,2]=4 199 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,0,0,0,0,0|3,0,1]=4 200 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,0,0,0,0,0|3,0,1]=4 201 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,0,0,0,0,0|3,0,1]=4 202 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,0,0,0,0,0|3,0,1]=4 203 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,0,0,0,0,0|3,0,1]=4 204 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,0,0,0,0,0|3,0,1]=4 205 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,0,0,0,0,0|3,0,1]=4 206 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,0,0,0,0,0|3,0,1]=4 207 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,0,0,0,0,0|3,0,1]=4 208 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,0,0,0,0,0|3,0,1]=4 209 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,0,0,0,0,0|3,0,1]=4 210 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,0,0,0,0,0|3,0,1]=4 211 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,0,0,0,0,0|3,0,1]=4 212 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,0,0,0,0,0|3,0,1]=4 213 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,0,0,0,0,0|3,0,1]=4 214 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,0,0,0,0,0|3,0,1]=4 215 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,0,0,0,0,0|3,0,1]=4 216 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,0,0,0,0,0|3,0,1]=4 217 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,0,0,0,0,0|3,0,1]=4 218 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,0,0,0,0,0|3,0,1]=4 219 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,0,0,0,0,0|1,0,2]=3 220 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,0,0,0,0,0|1,0,2]=3 221 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,0,0,0,0,0|1,0,2]=3 222 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,0,0,0,0,0|1,0,2]=3 223 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,0,0,0,0,0|1,0,2]=3 224 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,0,0,0,0,0|1,0,2]=3 225 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,0,0,0,0,0|1,0,2]=3 226 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,0,0,0,0,0|1,0,2]=3 227 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,0,0,0,0,0|2,0,2]=4 228 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,0,0,0,0,0|2,0,2]=4 229 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,0,0,0,0,0|2,0,2]=4 230 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,0,0,0,0,0|2,0,2]=4 231 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,0,0,0,0,0|2,0,2]=4 232 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,0,0,0,0,0|2,0,2]=4 233 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,0,0,0,0,0|2,0,2]=4 234 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,0,0,0,0,0|2,0,2]=4 235 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,0,0,0,0,0|2,0,2]=4 236 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,0,0,0,0,0|2,0,2]=4 237 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,0,0,0,0,0|2,0,2]=4 238 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,0,0,0,0,0|2,0,2]=4 239 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,0,0,0,0,0|2,0,2]=4 240 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,0,0,0,0,0|2,0,2]=4 241 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,0,0,0,0,0|2,0,2]=4 242 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,0,0,0,0,0|2,0,2]=4 243 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,0,0,0,0,0|2,0,2]=4 244 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,0,0,0,0,0|2,0,2]=4 245 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,0,0,0,0,0|2,0,2]=4 246 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,0,0,0,0,0|2,0,2]=4 247 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,0,0,0,0,0|2,0,2]=4 248 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,0,0,0,0,0|2,0,2]=4 249 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,0,0,0,0,0|2,0,2]=4 250 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,0,0,0,0,0|2,0,2]=4 251 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,0,0,0,0,0|2,0,2]=4 252 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,0,0,0,0,0|2,0,2]=4 253 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,0,0,0,0,0|2,0,2]=4 254 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,0,0,0,0,0|2,0,2]=4 255 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,0,0,0,0,0|2,0,2]=4 256 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,0,0,0,0,0|2,0,2]=4 257 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,0,0,0,0,0|2,0,2]=4 258 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,0,0,0,0,0|2,0,2]=4 259 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,0,0,0,0,0|2,0,2]=4 260 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,0,0,0,0,0|2,0,2]=4 261 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,0,0,0,0,0|2,0,2]=4 262 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,0,0,0,0,0|2,0,1]=3 263 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,0,0,0,0,0|2,0,1]=3 264 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,0,0,0,0,0|2,0,1]=3 265 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,0,0,0,0,0|2,0,1]=3 266 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,0,0,0,0,0|2,0,1]=3 267 B13R0.2 CCOC(=O)CCCOCCCC#N 7a_100012001163_100000687738 [0,0,0,0,0,0|2,0,2]=4 268 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,0,0,0,0,0|2,0,2]=4 269 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,0,0,0,0,0|2,0,1]=3 270 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,0,0,0,0,0|2,0,1]=3 271 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,0,0,0,0,0|2,0,1]=3 272 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,0,0,0,0,0|2,0,1]=3 273 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,0,0,0,0,0|2,0,1]=3 274 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,0,0,0,0,0|2,0,1]=3 275 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,0,0,0,0,0|2,0,1]=3 276 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,0,0,0,0,0|2,0,1]=3 277 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,0,0,0,0,0|2,0,1]=3 278 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,0,0,0,0,0|2,0,1]=3 279 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,0,0,0,0,0|2,0,1]=3 280 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,0,0,0,0,0|2,0,1]=3 281 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,0,0,0,0,0|2,0,1]=3 282 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,0,0,0,0,0|2,0,1]=3 283 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,0,0,0,0,0|2,0,1]=3 284 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,0,0,0,0,0|2,0,1]=3 285 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,0,0,0,0,0|2,0,1]=3 286 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100000687738_100009991533 [0,0,0,0,0,0|2,0,2]=4 287 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100009991533_100000687738 [0,0,0,0,0,0|2,0,2]=4 288 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,0,0,0,0,0|2,0,2]=4 289 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,0,0,0,0,0|2,0,2]=4 290 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,0,0,0,0,0|2,0,1]=3 291 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,0,0,0,0,0|2,0,1]=3 292 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,0,0,0,0,0|2,0,1]=3 293 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,0,0,0,0,0|2,0,1]=3 294 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,0,0,0,0,0|2,0,1]=3 295 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,0,0,0,0,0|2,0,1]=3 296 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,0,0,0,0,0|2,0,1]=3 297 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,0,0,0,0,0|2,0,1]=3 298 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,0,0,0,0,0|2,0,1]=3 299 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,0,0,0,0,0|2,0,1]=3 300 B13R0.2 CCOC(=O)CCNCCOCCO 2230a_100000211614_100011206558 [0,0,0,0,0,0|3,0,1]=4 301 B13R0.2 CCOC(=O)CCNCCOCCO 34a_100000211614_100000765890 [0,0,0,0,0,0|3,0,1]=4 302 B13R0.2 CCOC(=O)CCNCCSCCO 2230a_100011219999_100011206558 [0,0,0,0,0,0|3,0,1]=4 303 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,0,0,0,0,0|2,0,1]=3 304 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,0,0,0,0,0|2,0,1]=3 305 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,0,0,0,0,0|2,0,1]=3 306 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,0,0,0,0,0|2,0,1]=3 307 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,0,0,0,0,0|2,0,1]=3 308 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,0,0,0,0,0|2,0,1]=3 309 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,0,0,0,0,0|2,0,1]=3 310 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,0,0,0,0,0|2,0,1]=3 311 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,0,0,0,0,0|2,0,1]=3 312 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,0,0,0,0,0|2,0,1]=3 313 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,0,0,0,0,0|2,0,1]=3 314 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,0,0,0,0,0|2,0,1]=3 315 B13R0.2 CCOC(=O)CCOCCOCCBr 34a_100000692535_100000765890 [0,0,0,0,0,0|3,0,1]=4 316 B13R0.2 CCOC(=O)CCOCCOCCBr 7a_100000692535_100011206558 [0,0,0,0,0,0|3,0,1]=4 317 B13R0.2 CCOC(=O)CCOCCOCCCl 34a_100011215305_100000765890 [0,0,0,0,0,0|3,0,1]=4 318 B13R0.2 CCOC(=O)CCOCCOCCCl 7a_100011215305_100011206558 [0,0,0,0,0,0|3,0,1]=4 319 B13R0.2 CCOC(=O)CCOCCOCCF 34a_200015357709_100000765890 [0,0,0,0,0,0|3,0,1]=4 320 B13R0.2 CCOC(=O)CCOCCOCCF 7a_200015357709_100011206558 [0,0,0,0,0,0|3,0,1]=4 321 B13R0.2 CCOC(=O)CCOCCOCCI 34a_100012149058_100000765890 [0,0,0,0,0,0|3,0,1]=4 322 B13R0.2 CCOC(=O)CCOCCOCCI 7a_100012149058_100011206558 [0,0,0,0,0,0|3,0,1]=4 323 B13R0.2 CCOC(=O)CCOCCOCCN 34a_100000211614_100000765890 [0,0,0,0,0,0|3,0,1]=4 324 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100000765890_100000211819 [0,0,0,0,0,0|2,0,2]=4 325 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100011219923_100000765890 [0,0,0,0,0,0|2,0,2]=4 326 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,0,0,0,0,0|2,0,2]=4 327 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,0,0,0,0,0|2,0,2]=4 328 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,0,0,0,0,0|2,0,1]=3 329 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,0,0,0,0,0|2,0,1]=3 330 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,0,0,0,0,0|2,0,1]=3 331 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,0,0,0,0,0|2,0,1]=3 332 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,0,0,0,0,0|2,0,1]=3 333 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,0,0,0,0,0|2,0,1]=3 334 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100000765890_100011215305 [0,0,0,0,0,0|3,0,1]=4 335 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100011215305_100000765890 [0,0,0,0,0,0|3,0,1]=4 336 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000231047_100000765890 [0,0,0,0,0,0|3,0,1]=4 337 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000765890_100000231047 [0,0,0,0,0,0|3,0,1]=4 338 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,0,0,0,0,0|2,0,2]=4 339 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,0,0,0,0,0|2,0,2]=4 340 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,0,0,0,0,0|2,0,2]=4 341 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,0,0,0,0,0|2,0,2]=4 342 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,0,0,0,0,0|2,0,2]=4 343 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,0,0,0,0,0|2,0,2]=4 344 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,0,0,0,0,0|2,0,2]=4 345 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,0,0,0,0,0|2,0,2]=4 346 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,0,0,0,0,0|2,0,2]=4 347 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,0,0,0,0,0|2,0,2]=4 348 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,0,0,0,0,0|2,0,2]=4 349 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,0,0,0,0,0|2,0,2]=4 350 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,0,0,0,0,0|2,0,2]=4 351 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,0,0,0,0,0|2,0,2]=4 352 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,0,0,0,0,0|2,0,2]=4 353 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,0,0,0,0,0|2,0,2]=4 354 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,0,0,0,0,0|3,0,1]=4 355 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,0,0,0,0,0|3,0,1]=4 356 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,0,0,0,0,0|3,0,1]=4 357 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,0,0,0,0,0|3,0,1]=4 358 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,0,0,0,0,0|3,0,1]=4 359 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,0,0,0,0,0|3,0,1]=4 360 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,0,0,0,0,0|3,0,1]=4 361 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,0,0,0,0,0|3,0,1]=4 362 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,0,0,0,0,0|3,0,1]=4 363 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,0,0,0,0,0|3,0,1]=4 364 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,0,0,0,0,0|3,0,1]=4 365 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,0,0,0,0,0|3,0,1]=4 366 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,0,0,0,0,0|3,0,1]=4 367 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,0,0,0,0,0|3,0,1]=4 368 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,0,0,0,0,0|3,0,1]=4 369 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,0,0,0,0,0|1,0,2]=3 370 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,0,0,0,0,0|2,0,1]=3 371 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,0,0,0,0,0|2,0,1]=3 372 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,0,0,0,0,0|2,0,1]=3 373 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,0,0,0,0,0|2,0,1]=3 374 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,0,0,0,0,0|2,0,1]=3 375 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,0,0,0,0,0|2,0,1]=3 376 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,0,0,0,0,0|3,0,1]=4 377 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,0,0,0,0,0|2,0,1]=3 378 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,0,0,0,0,0|2,0,1]=3 379 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,0,0,0,0,0|2,0,1]=3 380 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,0,0,0,0,0|2,0,1]=3 381 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,0,0,0,0,0|2,0,1]=3 382 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,0,0,0,0,0|3,0,1]=4 383 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,0,0,0,0,0|3,0,1]=4 384 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,0,0,0,0,0|2,0,1]=3 385 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,0,0,0,0,0|2,0,1]=3 386 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,0,0,0,0,0|3,0,1]=4 387 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,0,0,0,0,0|2,0,2]=4 388 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,0,0,0,0,0|2,0,2]=4 389 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [1,0,0,0,0,0|1,0,2]=4 390 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [1,0,0,0,0,0|1,0,2]=4 391 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [1,0,0,0,0,0|1,0,2]=4 392 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [1,0,0,0,0,0|1,0,2]=4 393 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [1,0,0,0,0,0|1,0,2]=4 394 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [1,0,0,0,0,0|1,0,2]=4 395 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [1,0,0,0,0,0|1,0,2]=4 396 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [1,0,0,0,0,0|1,0,2]=4 397 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [1,0,0,0,0,0|1,0,2]=4 398 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [1,0,0,0,0,0|1,0,2]=4 399 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [1,0,0,0,0,0|1,0,2]=4 400 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [1,0,0,0,0,0|1,0,2]=4 401 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [1,0,0,0,0,0|1,0,2]=4 402 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [1,0,0,0,0,0|1,0,2]=4 403 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [1,0,0,0,0,0|1,0,2]=4 404 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [1,0,0,0,0,0|1,0,2]=4 405 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [1,0,0,0,0,0|1,0,2]=4 406 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [1,0,0,0,0,0|1,0,2]=4 407 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [1,0,0,0,0,0|1,0,2]=4 408 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,0,0,0,0,0|1,0,2]=4 409 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [1,0,0,0,0,0|1,0,2]=4 410 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [1,0,0,0,0,0|1,0,2]=4 411 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [1,0,0,0,0,0|1,0,2]=4 412 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [1,0,0,0,0,0|1,0,2]=4 413 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [1,0,0,0,0,0|1,0,2]=4 414 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,0,0,0,0,0|2,0,1]=4 415 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,0,0,0,0,0|2,0,1]=4 416 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,0,0,0,0,0|2,0,1]=4 417 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [1,0,0,0,0,0|3,0,0]=4 418 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [1,0,0,0,0,0|2,0,1]=4 419 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,0,0,0,0,0|1,0,0]=2 420 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [1,0,0,0,0,0|2,0,0]=3 421 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [1,0,0,0,0,0|2,0,0]=3 422 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,0,0,0,0,0|1,0,0]=2 423 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,0,0,0,0,0|1,0,0]=2 424 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [1,0,0,0,0,0|2,0,0]=3 425 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [1,0,0,0,0,0|1,0,2]=4 426 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [1,0,0,0,0,0|3,0,0]=4 427 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [1,0,0,0,0,0|1,0,2]=4 428 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [1,0,0,0,0,0|1,0,2]=4 429 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [1,0,0,0,0,0|1,0,2]=4 430 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,0,0,0,0,0|1,0,1]=3 431 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,0,0,0,0,0|1,0,1]=3 432 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,0,0,0,0,0|2,0,1]=4 433 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,0,0,0,0,0|2,0,1]=4 434 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,0,0,0,0,0|2,0,1]=4 435 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,0,0,0,0,0|2,0,1]=4 436 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [1,0,0,0,0,0|2,0,1]=4 437 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [1,0,0,0,0,0|1,0,1]=3 438 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [1,0,0,0,0,0|1,0,1]=3 439 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [1,0,0,0,0,0|1,0,1]=3 440 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [1,0,0,0,0,0|2,0,1]=4 441 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,0,0,0,0,0|1,0,2]=4 442 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,0,0,0,0,0|1,0,2]=4 443 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [1,0,0,0,0,0|2,0,1]=4 444 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [1,0,0,0,0,0|2,0,1]=4 445 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [1,0,0,0,0,0|2,0,1]=4 446 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [1,0,0,0,0,0|2,0,1]=4 447 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [1,0,0,0,0,0|2,0,1]=4 448 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [1,0,0,0,0,0|2,0,1]=4 449 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [1,0,0,0,0,0|2,0,1]=4 450 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [1,0,0,0,0,0|2,0,1]=4 451 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [1,0,0,0,0,0|2,0,1]=4 452 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [1,0,0,0,0,0|2,0,1]=4 453 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [1,0,0,0,0,0|2,0,1]=4 454 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [1,0,0,0,0,0|2,0,1]=4 455 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [1,0,0,0,0,0|2,0,1]=4 456 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,0,0,0,0,0|1,0,1]=3 457 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [1,0,0,0,0,0|2,0,1]=4 458 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [1,0,0,0,0,0|2,0,1]=4 459 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [1,0,0,0,0,0|2,0,1]=4 460 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,0,0,0,0,0|1,0,1]=3 461 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,0,0,0,0,0|1,0,1]=3 462 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [1,0,0,0,0,0|2,0,1]=4 463 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [1,0,0,0,0,0|2,0,1]=4 464 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [1,0,0,0,0,0|2,0,1]=4 465 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [1,0,0,0,0,0|2,0,1]=4 466 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,0,0,0,0,0|1,0,1]=3 467 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,0,0,0,0,0|1,0,1]=3 468 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [1,0,0,0,0,0|2,0,0]=3 469 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [1,0,0,0,0,0|2,0,0]=3 470 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,0,0,0,0,0|1,0,0]=2 471 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [1,0,0,0,0,0|3,0,0]=4 472 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [1,0,0,0,0,0|2,0,1]=4 473 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,0,0,0,0,0|2,0,0]=3 474 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,0,0,0,0,0|1,0,0]=2 475 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,0,0,0,0,0|1,0,0]=2 476 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [1,0,0,0,0,0|3,0,0]=4 477 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [1,0,0,0,0,0|2,0,0]=3 478 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [1,0,0,0,0,0|2,0,0]=3 479 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,0,0,0,0,0|1,0,0]=2 480 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,0,0,0,0,0|1,0,0]=2 481 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [1,0,0,0,0,0|3,0,0]=4 482 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,0,0,0,0,0|2,0,0]=3 483 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [1,0,0,0,0,0|1,0,2]=4 484 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [1,0,0,0,0,0|1,0,2]=4 485 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,0,0,0,0,0|1,0,1]=3 486 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,0,0,0,0,0|1,0,1]=3 487 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [1,0,0,0,0,0|2,0,1]=4 488 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [1,0,0,0,0,0|2,0,1]=4 489 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [1,0,0,0,0,0|1,0,2]=4 490 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [1,0,0,0,0,0|1,0,2]=4 491 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,0,0,0,0,0|1,0,1]=3 492 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,0,0,0,0,0|1,0,1]=3 493 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,0,0,0,0,0|1,0,1]=3 494 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [1,0,0,0,0,0|2,0,1]=4 495 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [1,0,0,0,0,0|2,0,1]=4 496 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [1,0,0,0,0,0|2,0,1]=4 497 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [1,0,0,0,0,0|2,0,1]=4 498 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [1,0,0,0,0,0|1,0,2]=4 499 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [1,0,0,0,0,0|1,0,2]=4 500 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,0,0,0,0,0|1,0,1]=3 501 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,0,0,0,0,0|1,0,1]=3 502 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [1,0,0,0,0,0|2,0,1]=4 503 B12R0.1 CCCNN=CC=CC(=O)OCC 4a_100000740057_100016289910 [1,0,0,0,0,0|2,0,1]=4 504 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,0,0,0,0,0|1,0,1]=3 505 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [1,0,0,0,0,0|2,0,1]=4 506 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [1,0,0,0,0,0|2,0,1]=4 507 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [1,0,0,0,0,0|2,0,1]=4 508 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [1,0,0,0,0,0|2,0,1]=4 509 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [1,0,0,0,0,0|2,0,1]=4 510 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [1,0,0,0,0,0|2,0,1]=4 511 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [1,0,0,0,0,0|2,0,1]=4 512 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [1,0,0,0,0,0|2,0,1]=4 513 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [1,0,0,0,0,0|3,0,0]=4 514 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,0,0,0,0,0|1,0,1]=3 515 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,0,0,0,0,0|1,0,1]=3 516 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [1,0,0,0,0,0|2,0,1]=4 517 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [1,0,0,0,0,0|2,0,1]=4 518 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [1,0,0,0,0,0|2,0,1]=4 519 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [1,0,0,0,0,0|2,0,1]=4 520 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [1,0,0,0,0,0|2,0,1]=4 521 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [1,0,0,0,0,0|2,0,1]=4 522 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [1,0,0,0,0,0|3,0,0]=4 523 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [1,0,0,0,0,0|3,0,0]=4 524 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [1,0,0,0,0,0|3,0,0]=4 525 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [1,0,0,0,0,0|3,0,0]=4 526 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [1,0,0,0,0,0|3,0,0]=4 527 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [1,0,0,0,0,0|3,0,0]=4 528 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [1,0,0,0,0,0|3,0,0]=4 529 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [1,0,0,0,0,0|3,0,0]=4 530 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [1,0,0,0,0,0|3,0,0]=4 531 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [1,0,0,0,0,0|3,0,0]=4 532 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [1,0,0,0,0,0|3,0,0]=4 533 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [1,0,0,0,0,0|3,0,0]=4 534 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [1,0,0,0,0,0|3,0,0]=4 535 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [1,0,0,0,0,0|3,0,0]=4 536 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [1,0,0,0,0,0|3,0,0]=4 537 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [1,0,0,0,0,0|3,0,0]=4 538 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [1,0,0,0,0,0|3,0,0]=4 539 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [1,0,0,0,0,0|3,0,0]=4 540 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [1,0,0,0,0,0|3,0,0]=4 541 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [1,0,0,0,0,0|3,0,0]=4 542 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [1,0,0,0,0,0|3,0,0]=4 543 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [1,0,0,0,0,0|3,0,0]=4 544 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [1,0,0,0,0,0|3,0,0]=4 545 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [1,0,0,0,0,0|3,0,0]=4 546 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,0,0,0,0,0|1,0,1]=3 547 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [1,0,0,0,0,0|2,0,1]=4 548 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,0,0,0,0,0|1,0,1]=3 549 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,0,0,0,0,0|1,0,1]=3 550 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,0,0,0,0,0|1,0,1]=3 551 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,0,0,0,0,0|1,0,1]=3 552 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,0,0,0,0,0|1,0,1]=3 553 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,0,0,0,0,0|1,0,1]=3 554 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [1,0,0,0,0,0|2,0,1]=4 555 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,0,0,0,0,0|1,0,1]=3 556 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,0,0,0,0,0|1,0,1]=3 557 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [1,0,0,0,0,0|2,0,1]=4 558 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [1,0,0,0,0,0|2,0,1]=4 559 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [1,0,0,0,0,0|2,0,1]=4 560 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [1,0,0,0,0,0|2,0,1]=4 561 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [1,0,0,0,0,0|2,0,1]=4 562 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [1,0,0,0,0,0|2,0,1]=4 563 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [1,0,0,0,0,0|2,0,1]=4 564 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [1,0,0,0,0,0|2,0,1]=4 565 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [1,0,0,0,0,0|2,0,1]=4 566 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [1,0,0,0,0,0|2,0,1]=4 567 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [1,0,0,0,0,0|2,0,1]=4 568 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [1,0,0,0,0,0|2,0,1]=4 569 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [1,0,0,0,0,0|2,0,1]=4 570 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [1,0,0,0,0,0|2,0,1]=4 571 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [1,0,0,0,0,0|2,0,1]=4 572 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [1,0,0,0,0,0|2,0,1]=4 573 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [1,0,0,0,0,0|2,0,1]=4 574 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [1,0,0,0,0,0|2,0,1]=4 575 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [1,0,0,0,0,0|2,0,1]=4 576 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [1,0,0,0,0,0|2,0,1]=4 577 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [1,0,0,0,0,0|2,0,1]=4 578 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [1,0,0,0,0,0|2,0,1]=4 579 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [1,0,0,0,0,0|2,0,1]=4 580 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [1,0,0,0,0,0|2,0,1]=4 581 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [1,0,0,0,0,0|2,0,1]=4 582 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [1,0,0,0,0,0|2,0,1]=4 583 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [1,0,0,0,0,0|2,0,1]=4 584 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [1,0,0,0,0,0|2,0,1]=4 585 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [1,0,0,0,0,0|2,0,1]=4 586 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [1,0,0,0,0,0|2,0,1]=4 587 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [1,0,0,0,0,0|2,0,1]=4 588 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [1,0,0,0,0,0|2,0,1]=4 589 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [1,0,0,0,0,0|2,0,1]=4 590 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [1,0,0,0,0,0|2,0,1]=4 591 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [1,0,0,0,0,0|2,0,1]=4 592 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [1,0,0,0,0,0|2,0,1]=4 593 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [1,0,0,0,0,0|2,0,1]=4 594 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [1,0,0,0,0,0|2,0,1]=4 595 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [1,0,0,0,0,0|2,0,0]=3 596 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [1,0,0,0,0,0|2,0,0]=3 597 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [1,0,0,0,0,0|2,0,0]=3 598 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [1,0,0,0,0,0|2,0,0]=3 599 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [1,0,0,0,0,0|2,0,0]=3 600 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [1,0,0,0,0,0|2,0,0]=3 601 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [1,0,0,0,0,0|2,0,0]=3 602 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [1,0,0,0,0,0|2,0,0]=3 603 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [1,0,0,0,0,0|2,0,0]=3 604 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [1,0,0,0,0,0|2,0,0]=3 605 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [1,0,0,0,0,0|2,0,0]=3 606 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [1,0,0,0,0,0|2,0,0]=3 607 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [1,0,0,0,0,0|2,0,0]=3 608 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [1,0,0,0,0,0|2,0,0]=3 609 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [1,0,0,0,0,0|2,0,0]=3 610 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [1,0,0,0,0,0|2,0,0]=3 611 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [1,0,0,0,0,0|2,0,0]=3 612 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [1,0,0,0,0,0|2,0,0]=3 613 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [1,0,0,0,0,0|2,0,1]=4 614 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [1,0,0,0,0,0|2,0,1]=4 615 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [1,0,0,0,0,0|2,0,1]=4 616 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [1,0,0,0,0,0|2,0,1]=4 617 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [1,0,0,0,0,0|2,0,0]=3 618 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [1,0,0,0,0,0|2,0,0]=3 619 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [1,0,0,0,0,0|2,0,0]=3 620 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [1,0,0,0,0,0|2,0,0]=3 621 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [1,0,0,0,0,0|2,0,0]=3 622 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [1,0,0,0,0,0|2,0,0]=3 623 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [1,0,0,0,0,0|2,0,0]=3 624 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [1,0,0,0,0,0|2,0,0]=3 625 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [1,0,0,0,0,0|2,0,1]=4 626 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [1,0,0,0,0,0|2,0,1]=4 627 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [1,0,0,0,0,0|2,0,1]=4 628 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [1,0,0,0,0,0|2,0,1]=4 629 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [1,0,0,0,0,0|2,0,1]=4 630 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [1,0,0,0,0,0|2,0,1]=4 631 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [1,0,0,0,0,0|2,0,1]=4 632 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [1,0,0,0,0,0|2,0,1]=4 633 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [1,0,0,0,0,0|2,0,1]=4 634 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [1,0,0,0,0,0|2,0,1]=4 635 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [1,0,0,0,0,0|2,0,1]=4 636 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [1,0,0,0,0,0|2,0,1]=4 637 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [1,0,0,0,0,0|2,0,1]=4 638 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [1,0,0,0,0,0|2,0,1]=4 639 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [1,0,0,0,0,0|2,0,1]=4 640 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [1,0,0,0,0,0|2,0,1]=4 641 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [1,0,0,0,0,0|2,0,1]=4 642 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [1,0,0,0,0,0|2,0,1]=4 643 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [1,0,0,0,0,0|2,0,1]=4 644 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [1,0,0,0,0,0|2,0,1]=4 645 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [1,0,0,0,0,0|2,0,1]=4 646 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [1,0,0,0,0,0|2,0,1]=4 647 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [1,0,0,0,0,0|3,0,0]=4 648 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [1,0,0,0,0,0|3,0,0]=4 649 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [1,0,0,0,0,0|3,0,0]=4 650 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [1,0,0,0,0,0|3,0,0]=4 651 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,0,0,0,0,0|1,0,1]=3 652 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,0,0,0,0,0|1,0,1]=3 653 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [1,0,0,0,0,0|2,0,1]=4 654 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [1,0,0,0,0,0|2,0,1]=4 655 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [1,0,0,0,0,0|2,0,1]=4 656 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [1,0,0,0,0,0|2,0,1]=4 657 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [1,0,0,0,0,0|2,0,1]=4 658 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [1,0,0,0,0,0|2,0,1]=4 659 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [1,0,0,0,0,0|2,0,1]=4 660 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [1,0,0,0,0,0|2,0,0]=3 661 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [1,0,0,0,0,0|2,0,0]=3 662 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [1,0,0,0,0,0|2,0,0]=3 663 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [1,0,0,0,0,0|2,0,0]=3 664 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [1,0,0,0,0,0|2,0,0]=3 665 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [1,0,0,0,0,0|2,0,0]=3 666 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [1,0,0,0,0,0|3,0,0]=4 667 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [1,0,0,0,0,0|2,0,1]=4 668 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [1,0,0,0,0,0|2,0,1]=4 669 B12R0.5 CC/C=C/CC/C=C/COCCC 34a_100016264143_100000210303 [1,0,0,0,0,0|2,0,0]=3 670 B12R0.5 CC/C=C/CC/C=C/COCCC 7a_100016264143_100000210303 [1,0,0,0,0,0|2,0,0]=3 671 B12R0.5 CC/C=C/CC/C=C/COCCF 34a_100016264143_100011217306 [1,0,0,0,0,0|3,0,0]=4 672 B12R0.5 CC/C=C/CC/C=C/COCCF 7a_100016264143_100011217306 [1,0,0,0,0,0|3,0,0]=4 673 B12R0.5 CC/C=C/CC/C=C/COCCO 34a_100016264143_100000211926 [1,0,0,0,0,0|3,0,0]=4 674 B12R0.5 CC/C=C/CC/C=C/COCCO 7a_100016264143_100000211926 [1,0,0,0,0,0|3,0,0]=4 675 B12R0.5 CC/C=C/CC/C=C/COCSC 34a_100016264143_100011218213 [1,0,0,0,0,0|3,0,0]=4 676 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [1,0,0,0,0,0|2,0,1]=4 677 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [1,0,0,0,0,0|2,0,1]=4 678 B12R0.5 CC/C=C\CCC=NNCCCC 4a_100025702795_100016279218 [1,0,0,0,0,0|3,0,0]=4 679 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [1,0,0,0,0,0|2,0,1]=4 680 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,0,0,0,0,0|2,0,1]=4 681 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,0,0,0,0,0|2,0,1]=4 682 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,0,0,0,0,0|2,0,1]=4 683 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,0,0,0,0,0|2,0,1]=4 684 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [1,0,0,0,0,0|2,0,1]=4 685 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [1,0,0,0,0,0|2,0,1]=4 686 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [1,0,0,0,0,0|0,0,3]=4 687 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [1,0,0,0,0,0|0,0,3]=4 688 B12R0.5 CCCCC/C=C/C=C/COCC 34a_200014065772_100000210202 [1,0,0,0,0,0|0,0,3]=4 689 B12R0.5 CCCCC/C=C/C=C/COCC 7a_200014065772_100000210202 [1,0,0,0,0,0|0,0,3]=4 690 B12R0.5 CCCCC/C=C/COCCCC 34a_100016258190_100000210210 [1,0,0,0,0,0|2,0,1]=4 691 B12R0.5 CCCCC/C=C/COCCCC 7a_100016258190_100000210211 [1,0,0,0,0,0|2,0,1]=4 692 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [1,0,0,0,0,0|0,0,1]=2 693 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [1,0,0,0,0,0|0,0,1]=2 694 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [1,0,0,0,0,0|1,0,1]=3 695 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [1,0,0,0,0,0|1,0,1]=3 696 B12R0.5 CCCCC/C=C\CCOCCC 34a_100016277358_100000210303 [1,0,0,0,0,0|2,0,0]=3 697 B12R0.5 CCCCC/C=C\CCOCCC 7a_100016277358_100000210303 [1,0,0,0,0,0|2,0,0]=3 698 B12R0.5 CCCCC/C=C\CCOCCF 34a_100016277358_100011217306 [1,0,0,0,0,0|3,0,0]=4 699 B12R0.5 CCCCC/C=C\CCOCCF 7a_100016277358_100011217306 [1,0,0,0,0,0|3,0,0]=4 700 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [1,0,0,0,0,0|3,0,0]=4 701 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [1,0,0,0,0,0|3,0,0]=4 702 B12R0.5 CCCCC/C=C\CCOCSC 34a_100016277358_100011218213 [1,0,0,0,0,0|3,0,0]=4 703 B12R0.5 CCCCCC/C=C/COCCC 34a_200016276170_100000210303 [1,0,0,0,0,0|2,0,1]=4 704 B12R0.5 CCCCCC/C=C/COCCC 7a_200016276170_100000210303 [1,0,0,0,0,0|2,0,1]=4 705 B12R0.5 CCCCCC=NNCCOCC 4a_100000732670_100000737632 [1,0,0,0,0,0|2,0,1]=4 706 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|0,0,3]=4 707 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|0,0,3]=4 708 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|0,0,3]=4 709 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [1,0,0,0,0,0|1,0,2]=4 710 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [1,0,0,0,0,0|1,0,2]=4 711 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [1,0,0,0,0,0|1,0,2]=4 712 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [1,0,0,0,0,0|1,0,2]=4 713 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [1,0,0,0,0,0|1,0,2]=4 714 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [1,0,0,0,0,0|1,0,2]=4 715 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [1,0,0,0,0,0|1,0,2]=4 716 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [1,0,0,0,0,0|1,0,2]=4 717 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [1,0,0,0,0,0|1,0,2]=4 718 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,0,0,0,0,0|1,0,2]=4 719 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [1,0,0,0,0,0|1,0,2]=4 720 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [1,0,0,0,0,0|1,0,2]=4 721 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [1,0,0,0,0,0|1,0,2]=4 722 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [1,0,0,0,0,0|0,0,3]=4 723 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [1,0,0,0,0,0|0,0,0]=1 724 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [1,0,0,0,0,0|1,0,0]=2 725 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [1,0,0,0,0,0|1,0,0]=2 726 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [1,0,0,0,0,0|1,0,0]=2 727 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [1,0,0,0,0,0|1,0,0]=2 728 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [1,0,0,0,0,0|1,0,0]=2 729 B12R0.248 CCCCC/C=C/COC(C)CC 34a_100016258190_100011215416 [1,0,0,0,0,0|2,0,1]=4 730 B12R0.248 CCCCC/C=C/COC(C)CC 7a_100016258190_100000758301 [1,0,0,0,0,0|2,0,1]=4 731 B12R0.248 CCCCC=CC=NNC(=O)CC 4a_100000183195_100016268198 [1,0,0,0,0,0|2,0,1]=4 732 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [1,0,0,0,0,0|0,0,2]=3 733 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [1,0,0,0,0,0|1,0,2]=4 734 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [1,0,0,0,0,0|1,0,2]=4 735 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [1,0,0,0,0,0|1,0,2]=4 736 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [1,0,0,0,0,0|1,0,2]=4 737 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [1,0,0,0,0,0|2,0,1]=4 738 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,0,0,0,0,0|0,0,2]=3 739 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,0,0,0,0,0|0,0,2]=3 740 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,0,0,0,0,0|1,0,2]=4 741 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,0,0,0,0,0|1,0,2]=4 742 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,0,0,0,0,0|1,0,2]=4 743 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,0,0,0,0,0|1,0,2]=4 744 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,0,0,0,0,0|1,0,2]=4 745 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,0,0,0,0,0|1,0,2]=4 746 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,0,0,0,0,0|1,0,2]=4 747 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,0,0,0,0,0|1,0,2]=4 748 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,0,0,0,0,0|1,0,2]=4 749 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,0,0,0,0,0|1,0,2]=4 750 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [1,0,0,0,0,0|1,0,2]=4 751 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [1,0,0,0,0,0|1,0,2]=4 752 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [1,0,0,0,0,0|1,0,2]=4 753 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [1,0,0,0,0,0|1,0,2]=4 754 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [1,0,0,0,0,0|1,0,2]=4 755 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [1,0,0,0,0,0|1,0,2]=4 756 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [1,0,0,0,0,0|1,0,2]=4 757 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [1,0,0,0,0,0|1,0,2]=4 758 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [1,0,0,0,0,0|1,0,2]=4 759 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [1,0,0,0,0,0|2,0,1]=4 760 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [1,0,0,0,0,0|2,0,1]=4 761 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [1,0,0,0,0,0|2,0,1]=4 762 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [1,0,0,0,0,0|1,0,1]=3 763 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [1,0,0,0,0,0|2,0,1]=4 764 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [1,0,0,0,0,0|2,0,1]=4 765 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [1,0,0,0,0,0|2,0,1]=4 766 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [1,0,0,0,0,0|1,0,1]=3 767 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [1,0,0,0,0,0|1,0,1]=3 768 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [1,0,0,0,0,0|2,0,1]=4 769 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [1,0,0,0,0,0|2,0,1]=4 770 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [1,0,0,0,0,0|1,0,1]=3 771 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [1,0,0,0,0,0|1,0,1]=3 772 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [1,0,0,0,0,0|2,0,1]=4 773 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [1,0,0,0,0,0|2,0,1]=4 774 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [1,0,0,0,0,0|2,0,1]=4 775 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [1,0,0,0,0,0|2,0,1]=4 776 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [1,0,0,0,0,0|1,0,1]=3 777 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [1,0,0,0,0,0|2,0,1]=4 778 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [1,0,0,0,0,0|2,0,1]=4 779 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [1,0,0,0,0,0|2,0,1]=4 780 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [1,0,0,0,0,0|2,0,1]=4 781 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [1,0,0,0,0,0|1,0,1]=3 782 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [1,0,0,0,0,0|1,0,1]=3 783 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [1,0,0,0,0,0|2,0,1]=4 784 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [1,0,0,0,0,0|2,0,1]=4 785 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [1,0,0,0,0,0|2,0,1]=4 786 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [1,0,0,0,0,0|2,0,1]=4 787 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,0,0,0,0,0|2,0,1]=4 788 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [1,0,0,0,0,0|2,0,1]=4 789 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [1,0,0,0,0,0|2,0,1]=4 790 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [1,0,0,0,0,0|1,0,1]=3 791 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [1,0,0,0,0,0|1,0,1]=3 792 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [1,0,0,0,0,0|1,0,2]=4 793 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [1,0,0,0,0,0|1,0,2]=4 794 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [1,0,0,0,0,0|2,0,0]=3 795 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [1,0,0,0,0,0|1,0,2]=4 796 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [1,0,0,0,0,0|1,0,2]=4 797 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [1,0,0,0,0,0|1,0,2]=4 798 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [1,0,0,0,0,0|1,0,2]=4 799 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [1,0,0,0,0,0|2,0,1]=4 800 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [1,0,0,0,0,0|2,0,1]=4 801 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [1,0,0,0,0,0|1,0,2]=4 802 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [1,0,0,0,0,0|1,0,2]=4 803 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [1,0,0,0,0,0|2,0,1]=4 804 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [1,0,0,0,0,0|1,0,2]=4 805 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [1,0,0,0,0,0|1,0,2]=4 806 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [1,0,0,0,0,0|1,0,2]=4 807 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [1,0,0,0,0,0|2,0,1]=4 808 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [1,0,0,0,0,0|2,0,1]=4 809 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [1,0,0,0,0,0|2,0,1]=4 810 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [1,0,0,0,0,0|2,0,1]=4 811 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [1,0,0,0,0,0|2,0,1]=4 812 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [1,0,0,0,0,0|2,0,1]=4 813 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [1,0,0,0,0,0|1,0,2]=4 814 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [1,0,0,0,0,0|1,0,2]=4 815 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [1,0,0,0,0,0|2,0,1]=4 816 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [1,0,0,0,0,0|2,0,1]=4 817 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [1,0,0,0,0,0|2,0,1]=4 818 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [1,0,0,0,0,0|1,0,2]=4 819 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [1,0,0,0,0,0|1,0,2]=4 820 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [1,0,0,0,0,0|1,0,2]=4 821 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [1,0,0,0,0,0|1,0,2]=4 822 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [1,0,0,0,0,0|2,0,1]=4 823 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [1,0,0,0,0,0|2,0,1]=4 824 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [1,0,0,0,0,0|2,0,1]=4 825 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [1,0,0,0,0,0|2,0,1]=4 826 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [1,0,0,0,0,0|2,0,1]=4 827 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [1,0,0,0,0,0|2,0,1]=4 828 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [1,0,0,0,0,0|2,0,1]=4 829 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [1,0,0,0,0,0|2,0,1]=4 830 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [1,0,0,0,0,0|2,0,1]=4 831 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [1,0,0,0,0,0|2,0,1]=4 832 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [1,0,0,0,0,0|2,0,1]=4 833 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [1,0,0,0,0,0|2,0,1]=4 834 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [1,0,0,0,0,0|1,0,2]=4 835 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [1,0,0,0,0,0|1,0,2]=4 836 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [1,0,0,0,0,0|2,0,1]=4 837 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [1,0,0,0,0,0|2,0,1]=4 838 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [1,0,0,0,0,0|2,0,1]=4 839 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [1,0,0,0,0,0|2,0,1]=4 840 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [1,0,0,0,0,0|2,0,1]=4 841 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [1,0,0,0,0,0|2,0,1]=4 842 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [1,0,0,0,0,0|2,0,1]=4 843 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,0,0,0,0,0|1,0,2]=4 844 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,0,0,0,0,0|1,0,2]=4 845 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,0,0,0,0,0|1,0,2]=4 846 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [1,0,0,0,0,0|2,0,1]=4 847 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,0,0,0,0,0|1,0,2]=4 848 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,0,0,0,0,0|1,0,2]=4 849 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,0,0,0,0,0|1,0,2]=4 850 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,0,0,0,0,0|1,0,2]=4 851 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,0,0,0,0,0|1,0,2]=4 852 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,0,0,0,0,0|1,0,2]=4 853 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [1,0,0,0,0,0|2,0,1]=4 854 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [1,0,0,0,0,0|2,0,1]=4 855 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [1,0,0,0,0,0|2,0,1]=4 856 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [1,0,0,0,0,0|2,0,1]=4 857 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [1,0,0,0,0,0|2,0,1]=4 858 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [1,0,0,0,0,0|2,0,1]=4 859 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [1,0,0,0,0,0|2,0,1]=4 860 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [1,0,0,0,0,0|2,0,1]=4 861 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [1,0,0,0,0,0|2,0,1]=4 862 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [1,0,0,0,0,0|2,0,1]=4 863 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [1,0,0,0,0,0|2,0,1]=4 864 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [1,0,0,0,0,0|2,0,1]=4 865 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [1,0,0,0,0,0|2,0,1]=4 866 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [1,0,0,0,0,0|2,0,1]=4 867 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [1,0,0,0,0,0|2,0,1]=4 868 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [1,0,0,0,0,0|2,0,1]=4 869 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [1,0,0,0,0,0|2,0,1]=4 870 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [1,0,0,0,0,0|2,0,1]=4 871 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [1,0,0,0,0,0|2,0,1]=4 872 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [1,0,0,0,0,0|2,0,1]=4 873 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [1,0,0,0,0,0|2,0,1]=4 874 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [1,0,0,0,0,0|2,0,1]=4 875 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [1,0,0,0,0,0|2,0,1]=4 876 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [1,0,0,0,0,0|2,0,1]=4 877 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [1,0,0,0,0,0|2,0,1]=4 878 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [1,0,0,0,0,0|2,0,1]=4 879 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [1,0,0,0,0,0|2,0,1]=4 880 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [1,0,0,0,0,0|2,0,1]=4 881 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [1,0,0,0,0,0|2,0,1]=4 882 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [1,0,0,0,0,0|2,0,1]=4 883 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [1,0,0,0,0,0|2,0,1]=4 884 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,0,0,0,0,0|1,0,2]=4 885 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,0,0,0,0,0|1,0,2]=4 886 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,0,0,0,0,0|1,0,2]=4 887 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [1,0,0,0,0,0|2,0,1]=4 888 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [1,0,0,0,0,0|2,0,1]=4 889 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [1,0,0,0,0,0|2,0,1]=4 890 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [1,0,0,0,0,0|2,0,1]=4 891 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [1,0,0,0,0,0|2,0,1]=4 892 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [1,0,0,0,0,0|2,0,1]=4 893 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [1,0,0,0,0,0|2,0,1]=4 894 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210303 [0,1,0,0,0,0|0,0,3]=4 895 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000211992_100000755133 [0,1,0,0,0,0|0,0,3]=4 896 B14R0.1 CCCC(=O)COCCCC(=O)OCC 7a_100012001163_100000747444 [0,1,0,0,0,0|1,0,2]=4 897 B14R0.1 CCCC(=O)CSCCCC(=O)OCC 62a_100000747444_100009991533 [0,1,0,0,0,0|1,0,2]=4 898 B14R0.1 CCCC(=O)CSCCCC(=O)OCC 62a_100009991533_100000747444 [0,1,0,0,0,0|1,0,2]=4 899 B14R0.1 CCCC(C)CCCOCC(=O)OCC 34a_100011713154_100000188475 [0,1,0,0,0,0|1,0,2]=4 900 B14R0.1 CCCC(C)CCCOCC(=O)OCC 7a_100011713154_100000188475 [0,1,0,0,0,0|1,0,2]=4 901 B14R0.1 CCCC(C)CCOCCC(=O)NCC 7a_100011217855_100000737597 [0,1,0,0,0,0|2,0,1]=4 902 B14R0.1 CCCC(C)CCOCCC(=O)OCC 34a_100011217855_100000765890 [0,1,0,0,0,0|1,0,1]=3 903 B14R0.1 CCCC(C)CCOCCC(=O)OCC 7a_100011217855_100011206558 [0,1,0,0,0,0|1,0,1]=3 904 B14R0.1 CCCC(C)COCCCC(=O)OCC 34a_100000688023_100009991533 [0,1,0,0,0,0|1,0,1]=3 905 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100000688023_100011215271 [0,1,0,0,0,0|1,0,1]=3 906 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100012001163_100011216630 [0,1,0,0,0,0|1,0,1]=3 907 B14R0.1 CCCC(C)COCCNC(=O)OCC 34a_100000158857_100011216630 [0,1,0,0,0,0|2,0,1]=4 908 B14R0.1 CCCC(C)COCCNC(=O)OCC 7a_100000688023_200011445536 [0,1,0,0,0,0|2,0,1]=4 909 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100009991533_100011216630 [0,1,0,0,0,0|1,0,1]=3 910 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100011216630_100009991533 [0,1,0,0,0,0|1,0,1]=3 911 B14R0.1 CCCC(C)CSCCNC(=O)OCC 62a_100011216630_200011445536 [0,1,0,0,0,0|2,0,1]=4 912 B14R0.1 CCCC(C)NCCCCC(=O)OCC 2230a_100000741246_100000750268 [0,1,0,0,0,0|1,0,2]=4 913 B14R0.1 CCCC(C)OCCCCC(=O)OCC 34a_100000764384_100000750268 [0,1,0,0,0,0|1,0,2]=4 914 B14R0.1 CCCC(C)OCCCCC(=O)OCC 7a_100000764384_100000750268 [0,1,0,0,0,0|1,0,2]=4 915 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000750268_100000766640 [0,1,0,0,0,0|1,0,2]=4 916 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000766640_100000750268 [0,1,0,0,0,0|1,0,2]=4 917 B14R0.1 CCCN(C)CCCCCC(=O)OCC 2230a_100000747261_100000755133 [0,1,0,0,0,0|1,0,2]=4 918 B14R0.1 CCCN(C)CCCCCC(=O)OCC 269982a_100000747261_100000755133 [0,1,0,0,0,0|1,0,2]=4 919 B14R0.1 CCC[C@H](N)CCOCCC(=O)OCC 34a_100015193777_100000765890 [0,1,0,0,0,0|1,0,1]=3 920 B14R0.1 CCC[C@H](N)COCCCC(=O)OCC 34a_100000732646_100009991533 [0,1,0,0,0,0|1,0,1]=3 921 B14R0.1 CCOC(=O)CCCNCC(O)COC 2230a_100000756049_100009991533 [0,1,0,0,0,0|2,0,1]=4 922 B14R0.1 CCOC(=O)CCCNCC(O)COC 34a_100000756049_100009991533 [0,1,0,0,0,0|2,0,1]=4 923 B14R0.1 CCOC(=O)CCCOCC(C)CCN 34a_106354213184_100009991533 [0,1,0,0,0,0|2,0,1]=4 924 B14R0.1 CCOC(=O)CCCOCC(N)COC 34a_100000724102_100009991533 [0,1,0,0,0,0|2,0,1]=4 925 B14R0.1 CCOC(=O)CCCOCC(O)COC 7a_100012001163_100011215053 [0,1,0,0,0,0|2,0,1]=4 926 B14R0.1 CCOC(=O)CCCSCC(O)COC 62a_100009991533_100011215053 [0,1,0,0,0,0|2,0,1]=4 927 B14R0.1 CCOC(=O)CCCSCC(O)COC 62a_100011215053_100009991533 [0,1,0,0,0,0|2,0,1]=4 928 B14R0.32 CCNC(=O)CCOCCCC(C)CC 7a_100011216074_100000737597 [0,1,0,0,0,0|2,0,1]=4 929 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000031895_100000210202 [0,1,0,0,0,0|0,0,3]=4 930 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000210414_100009814379 [0,1,0,0,0,0|0,0,3]=4 931 B14R0.32 CCOC(=O)CCCCCCN(C)CC 2230a_100000225621_100009814379 [0,1,0,0,0,0|1,0,2]=4 932 B14R0.32 CCOC(=O)CCCCCCN(C)CC 269982a_100000225621_100009814379 [0,1,0,0,0,0|1,0,2]=4 933 B14R0.32 CCOC(=O)CCCCCNC(C)CC 2230a_100000209981_100000755133 [0,1,0,0,0,0|1,0,2]=4 934 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100000210228_100000755133 [0,1,0,0,0,0|1,0,2]=4 935 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100011214988_100000758301 [0,1,0,0,0,0|1,0,2]=4 936 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000755133_100000758301 [0,1,0,0,0,0|1,0,2]=4 937 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000758301_100000755133 [0,1,0,0,0,0|1,0,2]=4 938 B14R0.32 CCOC(=O)CCCCNCC(C)CC 2230a_100020588543_100000750268 [0,1,0,0,0,0|1,0,2]=4 939 B14R0.32 CCOC(=O)CCCCNCC(O)CC 2230a_100011218483_100000750268 [0,1,0,0,0,0|1,0,2]=4 940 B14R0.32 CCOC(=O)CCCCOC[C@@H](C)CC 7a_100009816381_100000750268 [0,1,0,0,0,0|1,0,2]=4 941 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000748023_100000750268 [0,1,0,0,0,0|1,0,2]=4 942 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000750268_100000748023 [0,1,0,0,0,0|1,0,2]=4 943 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100000750268_100011218378 [0,1,0,0,0,0|1,0,2]=4 944 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100011218378_100000750268 [0,1,0,0,0,0|1,0,2]=4 945 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100000750268_100009816398 [0,1,0,0,0,0|1,0,2]=4 946 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100009816398_100000750268 [0,1,0,0,0,0|1,0,2]=4 947 B14R0.32 CCOC(=O)CCCNCCC(C)CC 2230a_100020591266_100009991533 [0,1,0,0,0,0|1,0,1]=3 948 B14R0.32 CCOC(=O)CCCNCCC(C)CO 2230a_106354213184_100009991533 [0,1,0,0,0,0|2,0,1]=4 949 B14R0.32 CCOC(=O)CCCNCCC(C)CO 34a_106354213184_100009991533 [0,1,0,0,0,0|2,0,1]=4 950 B14R0.32 CCOC(=O)CCCOCCC(C)CC 7a_100011215188_100011215271 [0,1,0,0,0,0|1,0,1]=3 951 B14R0.32 CCOC(=O)CCCOCCC(C)OC 7a_100000764861_100011215271 [0,1,0,0,0,0|2,0,1]=4 952 B14R0.32 CCOC(=O)CCOCCCC(C)CC 7a_100011216074_100011206558 [0,1,0,0,0,0|1,0,1]=3 953 B14R0.32 CCOC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000765890 [0,1,0,0,0,0|2,0,1]=4 954 B14R0.32 CCOC(=O)CCSCCCN(C)CC 62a_100000765890_100015186262 [0,1,0,0,0,0|2,0,1]=4 955 B14R0.32 CCOC(=O)NCCOCCC(C)CC 7a_100011215188_200011445536 [0,1,0,0,0,0|2,0,1]=4 956 B14R0.73 C=COC(=O)CC(=O)C=CCCCCC 1458a_100016263427_100000036128 [0,1,0,0,0,0|0,0,3]=4 957 B14R0.73 CCC/C=C/C=CC(=O)CC(=O)OCC 1458a_200016258893_100000188475 [0,1,0,0,0,0|0,0,3]=4 958 B14R0.73 CCCC/C=C/CC(=O)CC(=O)OCC 1458a_200016282684_100000188475 [0,1,0,0,0,0|0,0,3]=4 959 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,1,0,0,0,0|0,0,3]=4 960 B14R0.73 CCCCCC=CC(=O)CC(=O)CCC 1458a_100016263427_100000747444 [0,1,0,0,0,0|1,0,1]=3 961 B14R0.73 CCCCCC=CC(=O)CC(=O)NCC 1458a_100016263427_100000183381 [0,1,0,0,0,0|1,0,1]=3 962 B14R0.73 CCCCCC=CC(=O)CC(=O)NCO 1458a_100016263427_100000185155 [0,1,0,0,0,0|2,0,1]=4 963 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,1,0,0,0,0|0,0,1]=2 964 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,1,0,0,0,0|0,0,3]=4 965 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,1,0,0,0,0|0,0,3]=4 966 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,1,0,0,0,0|1,0,2]=4 967 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,1,0,0,0,0|1,0,2]=4 968 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,1,0,0,0,0|1,0,2]=4 969 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,1,0,0,0,0|1,0,2]=4 970 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,1,0,0,0,0|1,0,2]=4 971 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,1,0,0,0,0|1,0,2]=4 972 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,1,0,0,0,0|1,0,1]=3 973 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,1,0,0,0,0|1,0,1]=3 974 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,1,0,0,0,0|1,0,1]=3 975 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,1,0,0,0,0|1,0,1]=3 976 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,1,0,0,0,0|1,0,1]=3 977 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,1,0,0,0,0|2,0,1]=4 978 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,1,0,0,0,0|2,0,1]=4 979 B14R0.73 CCCCCNNC(=O)CC(=O)OCC 22a_100000694160_100000243816 [0,1,0,0,0,0|2,0,1]=4 980 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,1,0,0,0,0|1,0,1]=3 981 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,1,0,0,0,0|1,0,1]=3 982 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,1,0,0,0,0|1,0,2]=4 983 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,1,0,0,0,0|1,0,2]=4 984 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,1,0,0,0,0|1,0,1]=3 985 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,1,0,0,0,0|1,0,1]=3 986 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100009817359_100011995733 [0,1,0,0,0,0|2,0,1]=4 987 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100011995733_100009817359 [0,1,0,0,0,0|2,0,1]=4 988 B14R0.73 CCCOCCNC(C)CC(=O)OCC 2230a_100161115042_100009817359 [0,1,0,0,0,0|2,0,1]=4 989 B14R0.73 CCCOCCOC(C)CC(=O)OCC 7a_100000752267_100009817359 [0,1,0,0,0,0|2,0,1]=4 990 B14R0.73 CCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215938 [0,1,0,0,0,0|2,0,1]=4 991 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215938 [0,1,0,0,0,0|2,0,1]=4 992 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100011215938_100009817359 [0,1,0,0,0,0|2,0,1]=4 993 B14R0.73 CCCSCCNC(C)CC(=O)OCC 2230a_100020603323_100009817359 [0,1,0,0,0,0|2,0,1]=4 994 B14R0.73 CCCSCCOC(C)CC(=O)OCC 7a_200000230433_100009817359 [0,1,0,0,0,0|2,0,1]=4 995 B14R0.73 CCOC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817359 [0,1,0,0,0,0|2,0,1]=4 996 B14R0.73 CCOC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817359 [0,1,0,0,0,0|2,0,1]=4 997 B14R0.73 CCOC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817359 [0,1,0,0,0,0|2,0,1]=4 998 B14R0.73 CCOC(=O)CC(C)OCCCCCI 7a_200012148887_100009817359 [0,1,0,0,0,0|2,0,1]=4 999 B14R0.73 CCOC(=O)CC(C)OCCCCSC 7a_100011217163_100009817359 [0,1,0,0,0,0|2,0,1]=4 1000 B14R0.73 CCOC(=O)CC(C)OCCCSCC 7a_100011216438_100009817359 [0,1,0,0,0,0|2,0,1]=4 1001 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100000729378_100009817359 [0,1,0,0,0,0|2,0,1]=4 1002 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100009817359_100000729378 [0,1,0,0,0,0|2,0,1]=4 1003 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100000746330_100009817359 [0,1,0,0,0,0|2,0,1]=4 1004 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100009817359_100000746330 [0,1,0,0,0,0|2,0,1]=4 1005 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100000730899_100009817359 [0,1,0,0,0,0|2,0,1]=4 1006 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100009817359_100000730899 [0,1,0,0,0,0|2,0,1]=4 1007 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCF 7a_100009816390_100000729378 [0,1,0,0,0,0|2,0,1]=4 1008 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCO 7a_100009816390_100000746330 [0,1,0,0,0,0|2,0,1]=4 1009 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCOC 7a_100009816390_100000730899 [0,1,0,0,0,0|2,0,1]=4 1010 B14R0.73 CCOC(=O)C[C@H](O)CNCCCCO 34a_100000750430_100000688340 [0,1,0,0,0,0|2,0,1]=4 1011 B14R0.73 CCOC(=O)C[C@H](O)CNCCCOC 34a_100150723488_100000688340 [0,1,0,0,0,0|2,0,1]=4 1012 B14R0.73 CCOC(=O)C[C@H](O)COCCCCBr 34a_100011216708_100000688340 [0,1,0,0,0,0|2,0,1]=4 1013 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 34a_100000210776_100000688340 [0,1,0,0,0,0|2,0,1]=4 1014 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 7a_100000210776_100000688340 [0,1,0,0,0,0|2,0,1]=4 1015 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 34a_100011995726_100000688340 [0,1,0,0,0,0|2,0,1]=4 1016 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 7a_100011995726_100000688340 [0,1,0,0,0,0|2,0,1]=4 1017 B14R0.73 CCOC(=O)C[C@H](O)COCCCCI 34a_200012148704_100000688340 [0,1,0,0,0,0|2,0,1]=4 1018 B14R0.73 CCOC(=O)C[C@H](O)COCCCCN 34a_100000750430_100000688340 [0,1,0,0,0,0|2,0,1]=4 1019 B14R0.73 CCOC(=O)C[C@H](O)COCCCNC 34a_100000213112_100000688340 [0,1,0,0,0,0|2,0,1]=4 1020 B14R0.73 CCOC(=O)C[C@H](O)COCCCOC 34a_100000740835_100000688340 [0,1,0,0,0,0|2,0,1]=4 1021 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 34a_100000690336_100000688340 [0,1,0,0,0,0|2,0,1]=4 1022 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 7a_100000690336_100000688340 [0,1,0,0,0,0|2,0,1]=4 1023 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 34a_100000212035_100000688340 [0,1,0,0,0,0|2,0,1]=4 1024 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 7a_100000212035_100000688340 [0,1,0,0,0,0|2,0,1]=4 1025 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000688340_100000729493 [0,1,0,0,0,0|2,0,1]=4 1026 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000729493_100000688340 [0,1,0,0,0,0|2,0,1]=4 1027 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000210776_100000688340 [0,1,0,0,0,0|2,0,1]=4 1028 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000688340_100000210776 [0,1,0,0,0,0|2,0,1]=4 1029 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000688340_100000709357 [0,1,0,0,0,0|2,0,1]=4 1030 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000709357_100000688340 [0,1,0,0,0,0|2,0,1]=4 1031 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000688340_100000757381 [0,1,0,0,0,0|2,0,1]=4 1032 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000757381_100000688340 [0,1,0,0,0,0|2,0,1]=4 1033 B14R0.73 CCOCCCNC(C)CC(=O)OCC 2230a_100000210961_100009817359 [0,1,0,0,0,0|2,0,1]=4 1034 B14R0.73 CCOCCCOC(C)CC(=O)OCC 7a_100000757476_100009817359 [0,1,0,0,0,0|2,0,1]=4 1035 B14R0.73 CCOCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100012232248 [0,1,0,0,0,0|2,0,1]=4 1036 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100009817359_100012232248 [0,1,0,0,0,0|2,0,1]=4 1037 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100012232248_100009817359 [0,1,0,0,0,0|2,0,1]=4 1038 B14R0.73 CCOCCNC[C@@H](O)CC(=O)OCC 34a_102516460346_100000688340 [0,1,0,0,0,0|2,0,1]=4 1039 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210136_100000688340 [0,1,0,0,0,0|2,0,1]=4 1040 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210136_100000688340 [0,1,0,0,0,0|2,0,1]=4 1041 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000210147_100000688340 [0,1,0,0,0,0|2,0,1]=4 1042 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215890 [0,1,0,0,0,0|2,0,1]=4 1043 B14R0.83 C=C(COCCCCCC)C(=O)OCC 34a_100000210259_100000755967 [0,1,0,0,0,0|1,0,2]=4 1044 B14R0.83 C=C(COCCCCCC)C(=O)OCC 7a_100000210259_100000755967 [0,1,0,0,0,0|1,0,2]=4 1045 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000210314_100000755967 [0,1,0,0,0,0|1,0,2]=4 1046 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000755967_100000210757 [0,1,0,0,0,0|1,0,2]=4 1047 B14R0.83 CCCC/C=C/COC(C)C(=O)OCC 34a_200016272032_100011216346 [0,1,0,0,0,0|1,0,2]=4 1048 B14R0.83 CCCC/C=C/COC(C)C(=O)OCC 7a_200016272032_100011216346 [0,1,0,0,0,0|1,0,2]=4 1049 B14R0.83 CCCC/C=C/COC(F)C(=O)OCC 34a_200016272032_100000760018 [0,1,0,0,0,0|1,0,2]=4 1050 B14R0.83 CCCC/C=C/COC(F)C(=O)OCC 7a_200016272032_100000040065 [0,1,0,0,0,0|1,0,2]=4 1051 B14R0.83 CCCCCCCCC(O)C(=O)CCC 1458a_200011995895_100000210303 [0,1,0,0,0,0|1,0,2]=4 1052 B14R0.83 CCCCCCCCC(O)C(=O)NCC 240690a_100015525214_200011995895 [0,1,0,0,0,0|1,0,2]=4 1053 B14R0.83 CCCCCCCNC(C)C(=O)OCC 2230a_100000229938_100011215307 [0,1,0,0,0,0|1,0,2]=4 1054 B14R0.83 CCCCCCCNC(F)C(=O)OCC 2230a_100000229938_100000760018 [0,1,0,0,0,0|1,0,2]=4 1055 B14R0.83 CCCCCCCOC(C)C(=O)OCC 34a_100000210272_100011216346 [0,1,0,0,0,0|1,0,2]=4 1056 B14R0.83 CCCCCCCOC(C)C(=O)OCC 7a_100000210272_100011216346 [0,1,0,0,0,0|1,0,2]=4 1057 B14R0.83 CCCCCCCOC(F)C(=O)OCC 34a_100000210272_100000760018 [0,1,0,0,0,0|1,0,2]=4 1058 B14R0.83 CCCCCCCOC(F)C(=O)OCC 7a_100000210272_100000040065 [0,1,0,0,0,0|1,0,2]=4 1059 B14R0.83 CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210614 [0,1,0,0,0,0|1,0,2]=4 1060 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100000210614_100011216346 [0,1,0,0,0,0|1,0,2]=4 1061 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210316 [0,1,0,0,0,0|1,0,2]=4 1062 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000210614_100000760018 [0,1,0,0,0,0|1,0,2]=4 1063 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210316 [0,1,0,0,0,0|1,0,2]=4 1064 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000210314_100000211299 [0,1,0,0,0,0|1,0,2]=4 1065 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210757 [0,1,0,0,0,0|1,0,2]=4 1066 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,1,0,0,0,0|0,0,3]=4 1067 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,1,0,0,0,0|0,0,3]=4 1068 B14R0.163 CCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000210183 [0,1,0,0,0,0|1,0,2]=4 1069 B14R0.163 CCCCC(C)COCCC(=O)NCC 7a_100011995851_100000737597 [0,1,0,0,0,0|2,0,1]=4 1070 B14R0.163 CCCCC(C)COCCC(=O)OCC 34a_100011995851_100000765890 [0,1,0,0,0,0|1,0,1]=3 1071 B14R0.163 CCCCC(C)COCCC(=O)OCC 7a_100011995851_100011206558 [0,1,0,0,0,0|1,0,1]=3 1072 B14R0.163 CCCCC(C)NCCCC(=O)OCC 2230a_100000126638_100009991533 [0,1,0,0,0,0|1,0,1]=3 1073 B14R0.163 CCCCC(C)OCCCC(=O)OCC 34a_100000687866_100009991533 [0,1,0,0,0,0|1,0,1]=3 1074 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100000687866_100011215271 [0,1,0,0,0,0|1,0,1]=3 1075 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011215066 [0,1,0,0,0,0|1,0,1]=3 1076 B14R0.163 CCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011215066 [0,1,0,0,0,0|2,0,1]=4 1077 B14R0.163 CCCCC(C)OCCNC(=O)OCC 7a_100000687866_200011445536 [0,1,0,0,0,0|2,0,1]=4 1078 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011215066 [0,1,0,0,0,0|1,0,1]=3 1079 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_200011215066_100009991533 [0,1,0,0,0,0|1,0,1]=3 1080 B14R0.163 CCCCC(C)SCCNC(=O)OCC 62a_200011215066_200011445536 [0,1,0,0,0,0|2,0,1]=4 1081 B14R0.163 CCCCN(C)CCCCC(=O)OCC 2230a_100000207549_100000750268 [0,1,0,0,0,0|1,0,2]=4 1082 B14R0.163 CCCCN(C)CCCCC(=O)OCC 269982a_100000207549_100000750268 [0,1,0,0,0,0|1,0,2]=4 1083 B14R0.163 CCCC[C@H](N)COCCC(=O)OCC 34a_100011934283_100000765890 [0,1,0,0,0,0|1,0,1]=3 1084 B14R0.163 CCCOC(C)CNCCC(=O)OCC 2230a_100015185124_100011206558 [0,1,0,0,0,0|2,0,1]=4 1085 B14R0.163 CCCOC(C)CNCCC(=O)OCC 34a_100015185124_100000765890 [0,1,0,0,0,0|2,0,1]=4 1086 B14R0.163 CCOC(=O)CCCOC(C)CCCCl 34a_200000718107_100009991533 [0,1,0,0,0,0|2,0,1]=4 1087 B14R0.163 CCOC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215271 [0,1,0,0,0,0|2,0,1]=4 1088 B14R0.163 CCOC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100011206558 [0,1,0,0,0,0|2,0,1]=4 1089 B14R0.163 CCOC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000765890 [0,1,0,0,0,0|2,0,1]=4 1090 B14R0.163 CCOC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000765890 [0,1,0,0,0,0|2,0,1]=4 1091 B14R0.163 CCOCC(C)OCCCC(=O)OCC 34a_100000718985_100009991533 [0,1,0,0,0,0|2,0,1]=4 1092 B14R0.163 CCOCC(C)OCCCC(=O)OCC 7a_100000718985_100011215271 [0,1,0,0,0,0|2,0,1]=4 1093 B14R0.163 CCOCC(O)CNCCC(=O)OCC 2230a_102515437182_100011206558 [0,1,0,0,0,0|2,0,1]=4 1094 B14R0.163 CCOCC(O)CNCCC(=O)OCC 34a_102515437182_100000765890 [0,1,0,0,0,0|2,0,1]=4 1095 B14R0.181 C#CC(C)C(=O)CC/C=C/CCCCC 1458a_200015255902_200000035995 [0,1,0,0,0,0|1,0,2]=4 1096 B14R0.181 CCCCC/C=C/CCC(=O)C(C)C#N 1458a_200015255902_100000703298 [0,1,0,0,0,0|2,0,1]=4 1097 B14R0.181 CCCCC/C=C/CCC(=O)C(C)CC 1458a_200015255902_100000758301 [0,1,0,0,0,0|1,0,0]=2 1098 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 11a_100000225621_200015255902 [0,1,0,0,0,0|1,0,0]=2 1099 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 1626a_100000225621_200015255902 [0,1,0,0,0,0|1,0,0]=2 1100 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 240690a_100000225621_200015255902 [0,1,0,0,0,0|1,0,0]=2 1101 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 527a_100000225621_200015255902 [0,1,0,0,0,0|1,0,0]=2 1102 B14R0.181 CCCCCC/C=C/CC(=O)C(C)CC 1458a_100020681715_100000758301 [0,1,0,0,0,0|1,0,2]=4 1103 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 1104 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 1105 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 1106 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100000210558_100000758301 [0,1,0,0,0,0|1,0,2]=4 1107 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210670 [0,1,0,0,0,0|1,0,2]=4 1108 B14R0.181 CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210670 [0,1,0,0,0,0|1,0,2]=4 1109 B14R0.181 CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1110 B14R0.181 CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1111 B14R0.181 CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1112 B14R0.181 CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1113 B14R0.199 C#CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100010269958 [0,1,0,0,0,0|0,0,3]=4 1114 B14R0.199 C#CCCCNC(=O)CCC(=O)OCC 11a_100000718082_100000183558 [0,1,0,0,0,0|1,0,2]=4 1115 B14R0.199 C#CCCCNC(=O)CCC(=O)OCC 1626a_100000718082_100000183558 [0,1,0,0,0,0|1,0,2]=4 1116 B14R0.199 C#CCCCNC(=O)CCC(=O)OCC 240690a_100000718082_100000183558 [0,1,0,0,0,0|1,0,2]=4 1117 B14R0.199 C=CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215482 [0,1,0,0,0,0|0,0,3]=4 1118 B14R0.199 C=CCCCNC(=O)CCC(=O)OCC 11a_100000700776_100000183558 [0,1,0,0,0,0|1,0,2]=4 1119 B14R0.199 C=CCCCNC(=O)CCC(=O)OCC 1626a_100000700776_100000183558 [0,1,0,0,0,0|1,0,2]=4 1120 B14R0.199 C=CCCCNC(=O)CCC(=O)OCC 240690a_100000700776_100000183558 [0,1,0,0,0,0|1,0,2]=4 1121 B14R0.199 CC/C=C\CCC(=O)CCC(=O)OCC 1458a_100000183558_100015370543 [0,1,0,0,0,0|0,0,3]=4 1122 B14R0.199 CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210303 [0,1,0,0,0,0|3,0,0]=4 1123 B14R0.199 CCCCC=CC(=O)COC(=O)CCC 1458a_100016266645_100000034017 [0,1,0,0,0,0|2,0,1]=4 1124 B14R0.199 CCCCC=CC(=O)NCC(=O)NCC 11a_100016988866_100016266645 [0,1,0,0,0,0|2,0,1]=4 1125 B14R0.199 CCCCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100016266645 [0,1,0,0,0,0|2,0,1]=4 1126 B14R0.199 CCCCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100016266645 [0,1,0,0,0,0|2,0,1]=4 1127 B14R0.199 CCCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100016266645 [0,1,0,0,0,0|1,0,1]=3 1128 B14R0.199 CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210757 [0,1,0,0,0,0|0,0,3]=4 1129 B14R0.199 CCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210757 [0,1,0,0,0,0|1,0,1]=3 1130 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,1,0,0,0,0|0,0,1]=2 1131 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,1,0,0,0,0|1,0,1]=3 1132 B14R0.199 CCCCCCC(=O)COC(=O)CCC 1458a_100102632555_100000034017 [0,1,0,0,0,0|2,0,1]=4 1133 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 1134 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 1135 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 1136 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 1137 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,1,0,0,0,0|1,0,1]=3 1138 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,1,0,0,0,0|1,0,2]=4 1139 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,1,0,0,0,0|1,0,2]=4 1140 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,1,0,0,0,0|1,0,2]=4 1141 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,1,0,0,0,0|1,0,2]=4 1142 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,1,0,0,0,0|1,0,2]=4 1143 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,1,0,0,0,0|1,0,2]=4 1144 B14R0.199 CCCCCCN(C)CCC(=O)NCC 2230a_106256046315_100000737597 [0,1,0,0,0,0|2,0,1]=4 1145 B14R0.199 CCCCCCN(C)CCC(=O)NCC 269982a_106256046315_100000737597 [0,1,0,0,0,0|2,0,1]=4 1146 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,1,0,0,0,0|1,0,1]=3 1147 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,1,0,0,0,0|1,0,1]=3 1148 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,1,0,0,0,0|1,0,1]=3 1149 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,1,0,0,0,0|1,0,1]=3 1150 B14R0.199 CCCCCNC(=O)C=CC(=O)OCC 1626a_100000209983_100000210415 [0,1,0,0,0,0|1,0,2]=4 1151 B14R0.199 CCCCCNC(=O)C=CC(=O)OCC 240690a_100000209983_100000210415 [0,1,0,0,0,0|1,0,2]=4 1152 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 11a_100000209983_100000199579 [0,1,0,0,0,0|2,0,0]=3 1153 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 1626a_100000209983_100000199579 [0,1,0,0,0,0|2,0,0]=3 1154 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 240690a_100000209983_100000199579 [0,1,0,0,0,0|2,0,0]=3 1155 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 11a_100000209983_100000183558 [0,1,0,0,0,0|1,0,0]=2 1156 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 1626a_100000209983_100000183558 [0,1,0,0,0,0|1,0,0]=2 1157 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 240690a_100000209983_100000183558 [0,1,0,0,0,0|1,0,0]=2 1158 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 11a_100000209983_100000190774 [0,1,0,0,0,0|2,0,0]=3 1159 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 1626a_100000209983_100000190774 [0,1,0,0,0,0|2,0,0]=3 1160 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 240690a_100000209983_100000190774 [0,1,0,0,0,0|2,0,0]=3 1161 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 527a_100000209983_100000190774 [0,1,0,0,0,0|2,0,0]=3 1162 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 2708a_100000209983_100016988866 [0,1,0,0,0,0|3,0,0]=4 1163 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 2708a_100016988866_100000209983 [0,1,0,0,0,0|3,0,0]=4 1164 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 273464a_100000209983_100016988866 [0,1,0,0,0,0|3,0,0]=4 1165 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 273464a_100016988866_100000209983 [0,1,0,0,0,0|3,0,0]=4 1166 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 512a_100000209983_100016988866 [0,1,0,0,0,0|3,0,0]=4 1167 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 512a_100016988866_100000209983 [0,1,0,0,0,0|3,0,0]=4 1168 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,1,0,0,0,0|1,0,1]=3 1169 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,1,0,0,0,0|1,0,1]=3 1170 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,1,0,0,0,0|1,0,1]=3 1171 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,1,0,0,0,0|1,0,1]=3 1172 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,1,0,0,0,0|1,0,1]=3 1173 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 2230a_100000102301_100011215850 [0,1,0,0,0,0|2,0,1]=4 1174 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 7a_106832991798_100011215850 [0,1,0,0,0,0|2,0,1]=4 1175 B14R0.199 CCCCNN=C(C)CCC(=O)OCC 4a_100025702795_100011212338 [0,1,0,0,0,0|2,0,0]=3 1176 B14R0.199 CCCCNNC(=O)CCC(=O)NCC 22a_100025702795_100000199579 [0,1,0,0,0,0|3,0,0]=4 1177 B14R0.199 CCCCNNC(=O)CNC(=O)OCC 22a_100025702795_100000190774 [0,1,0,0,0,0|3,0,0]=4 1178 B14R0.199 CCCCOCC(=O)CCC(=O)NCC 1458a_100000199579_100011995733 [0,1,0,0,0,0|2,0,1]=4 1179 B14R0.199 CCCCOCC(=O)CCC(=O)OCC 1458a_100000183558_100011995733 [0,1,0,0,0,0|1,0,1]=3 1180 B14R0.199 CCCCOCC(=O)CNC(=O)OCC 1458a_100000190774_100011995733 [0,1,0,0,0,0|2,0,1]=4 1181 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000757543 [0,1,0,0,0,0|2,0,1]=4 1182 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 34a_100000210227_100011215850 [0,1,0,0,0,0|2,0,1]=4 1183 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 7a_100000210227_100011215850 [0,1,0,0,0,0|2,0,1]=4 1184 B14R0.199 CCCCOCN(C)CCC(=O)OCC 2230a_100000745921_100011995733 [0,1,0,0,0,0|2,0,1]=4 1185 B14R0.199 CCCCOCN(C)CCC(=O)OCC 269982a_100000745921_100011995733 [0,1,0,0,0,0|2,0,1]=4 1186 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000191162 [0,1,0,0,0,0|2,0,1]=4 1187 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100000210211_100011215850 [0,1,0,0,0,0|2,0,1]=4 1188 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210210 [0,1,0,0,0,0|2,0,1]=4 1189 B14R0.199 CCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100011215938 [0,1,0,0,0,0|2,0,1]=4 1190 B14R0.199 CCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215938 [0,1,0,0,0,0|1,0,1]=3 1191 B14R0.199 CCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215938 [0,1,0,0,0,0|2,0,1]=4 1192 B14R0.199 CCCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215938 [0,1,0,0,0,0|2,0,1]=4 1193 B14R0.199 CCCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215938 [0,1,0,0,0,0|2,0,1]=4 1194 B14R0.199 CCNC(=O)CCC(=O)CCCCCF 1458a_100000199579_100000729378 [0,1,0,0,0,0|2,0,1]=4 1195 B14R0.199 CCNC(=O)CCC(=O)CCCCCO 1458a_100000199579_100000746330 [0,1,0,0,0,0|2,0,1]=4 1196 B14R0.199 CCNC(=O)CCC(=O)CCCCOC 1458a_100000199579_100000755781 [0,1,0,0,0,0|2,0,1]=4 1197 B14R0.199 CCNC(=O)CCC(=O)CCCOCC 1458a_100000199579_100012232248 [0,1,0,0,0,0|2,0,1]=4 1198 B14R0.199 CCNC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000199579 [0,1,0,0,0,0|3,0,0]=4 1199 B14R0.199 CCNC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000199579 [0,1,0,0,0,0|3,0,0]=4 1200 B14R0.199 CCNC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000199579 [0,1,0,0,0,0|3,0,0]=4 1201 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 11a_100000749238_100000199579 [0,1,0,0,0,0|3,0,0]=4 1202 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000199579 [0,1,0,0,0,0|3,0,0]=4 1203 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000199579 [0,1,0,0,0,0|3,0,0]=4 1204 B14R0.199 CCNC(=O)CCC(=O)NCCOCC 11a_100011200944_100000199579 [0,1,0,0,0,0|3,0,0]=4 1205 B14R0.199 CCNC(=O)CCC(=O)NCCOCC 1626a_102516460346_100000199579 [0,1,0,0,0,0|3,0,0]=4 1206 B14R0.199 CCNC(=O)CCC(=O)NCCOCC 240690a_100011200944_100000199579 [0,1,0,0,0,0|3,0,0]=4 1207 B14R0.199 CCNC(=O)CCC(=O)NCCSCC 11a_100000106463_100000199579 [0,1,0,0,0,0|3,0,0]=4 1208 B14R0.199 CCNC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000199579 [0,1,0,0,0,0|3,0,0]=4 1209 B14R0.199 CCNC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000199579 [0,1,0,0,0,0|3,0,0]=4 1210 B14R0.199 CCNC(=O)CCC(=O)OCCCCO 240690a_100015525214_200009914559 [0,1,0,0,0,0|3,0,0]=4 1211 B14R0.199 CCOC(=O)CCC(=O)CCCCC#N 1458a_100000183558_100000211819 [0,1,0,0,0,0|1,0,2]=4 1212 B14R0.199 CCOC(=O)CCC(=O)CCCCCF 1458a_100000183558_100000729378 [0,1,0,0,0,0|1,0,1]=3 1213 B14R0.199 CCOC(=O)CCC(=O)CCCCCO 1458a_100000183558_100000746330 [0,1,0,0,0,0|1,0,1]=3 1214 B14R0.199 CCOC(=O)CCC(=O)CCCCOC 1458a_100000183558_100000755781 [0,1,0,0,0,0|1,0,1]=3 1215 B14R0.199 CCOC(=O)CCC(=O)CCOCCO 1458a_100000183558_100011215305 [0,1,0,0,0,0|2,0,1]=4 1216 B14R0.199 CCOC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000183558 [0,1,0,0,0,0|2,0,0]=3 1217 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000183558 [0,1,0,0,0,0|2,0,0]=3 1218 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000183558 [0,1,0,0,0,0|2,0,0]=3 1219 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 11a_100000749238_100000183558 [0,1,0,0,0,0|2,0,0]=3 1220 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000183558 [0,1,0,0,0,0|2,0,0]=3 1221 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000183558 [0,1,0,0,0,0|2,0,0]=3 1222 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 11a_100000106463_100000183558 [0,1,0,0,0,0|2,0,0]=3 1223 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000183558 [0,1,0,0,0,0|2,0,0]=3 1224 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000183558 [0,1,0,0,0,0|2,0,0]=3 1225 B14R0.199 CCOC(=O)CCC(C)NCCCCO 2230a_100000750430_100000748298 [0,1,0,0,0,0|2,0,1]=4 1226 B14R0.199 CCOC(=O)CCC(C)NCCCCO 34a_100000750430_100000748298 [0,1,0,0,0,0|2,0,1]=4 1227 B14R0.199 CCOC(=O)CCC(C)NCCCOC 34a_100150723488_100000748298 [0,1,0,0,0,0|2,0,1]=4 1228 B14R0.199 CCOC(=O)CCC(C)NCCCSC 2230a_100000749238_100000748298 [0,1,0,0,0,0|2,0,1]=4 1229 B14R0.199 CCOC(=O)CCC(C)NCCSCC 2230a_100000106463_100000748298 [0,1,0,0,0,0|2,0,1]=4 1230 B14R0.199 CCOC(=O)CCC(C)OCCCCBr 34a_100011216708_100000748298 [0,1,0,0,0,0|2,0,1]=4 1231 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 34a_100000210776_100000748298 [0,1,0,0,0,0|2,0,1]=4 1232 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 7a_100000210776_100000748298 [0,1,0,0,0,0|2,0,1]=4 1233 B14R0.199 CCOC(=O)CCC(C)OCCCCF 34a_100011995726_100000748298 [0,1,0,0,0,0|2,0,1]=4 1234 B14R0.199 CCOC(=O)CCC(C)OCCCCF 7a_100011995726_100000748298 [0,1,0,0,0,0|2,0,1]=4 1235 B14R0.199 CCOC(=O)CCC(C)OCCCCI 34a_200012148704_100000748298 [0,1,0,0,0,0|2,0,1]=4 1236 B14R0.199 CCOC(=O)CCC(C)OCCCCN 34a_100000750430_100000748298 [0,1,0,0,0,0|2,0,1]=4 1237 B14R0.199 CCOC(=O)CCC(C)OCCCNC 34a_100000213112_100000748298 [0,1,0,0,0,0|2,0,1]=4 1238 B14R0.199 CCOC(=O)CCC(C)OCCCOC 34a_100000740835_100000748298 [0,1,0,0,0,0|2,0,1]=4 1239 B14R0.199 CCOC(=O)CCC(C)OCCCSC 34a_100000690336_100000748298 [0,1,0,0,0,0|2,0,1]=4 1240 B14R0.199 CCOC(=O)CCC(C)OCCCSC 7a_100000690336_100000748298 [0,1,0,0,0,0|2,0,1]=4 1241 B14R0.199 CCOC(=O)CCC(C)OCCSCC 34a_100000212035_100000748298 [0,1,0,0,0,0|2,0,1]=4 1242 B14R0.199 CCOC(=O)CCC(C)OCCSCC 7a_100000212035_100000748298 [0,1,0,0,0,0|2,0,1]=4 1243 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000729493_100000748298 [0,1,0,0,0,0|2,0,1]=4 1244 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000748298_100000729493 [0,1,0,0,0,0|2,0,1]=4 1245 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000210776_100000748298 [0,1,0,0,0,0|2,0,1]=4 1246 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000748298_100000210776 [0,1,0,0,0,0|2,0,1]=4 1247 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000709357_100000748298 [0,1,0,0,0,0|2,0,1]=4 1248 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000748298_100000709357 [0,1,0,0,0,0|2,0,1]=4 1249 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000748298_100000757381 [0,1,0,0,0,0|2,0,1]=4 1250 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000757381_100000748298 [0,1,0,0,0,0|2,0,1]=4 1251 B14R0.199 CCOC(=O)CCN(C)CCCCCF 2230a_100000745921_100000729378 [0,1,0,0,0,0|2,0,1]=4 1252 B14R0.199 CCOC(=O)CCN(C)CCCCCF 269982a_100000745921_100000729378 [0,1,0,0,0,0|2,0,1]=4 1253 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000722520_100011206558 [0,1,0,0,0,0|2,0,1]=4 1254 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000745921_100000746330 [0,1,0,0,0,0|2,0,1]=4 1255 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000722520_100011206558 [0,1,0,0,0,0|2,0,1]=4 1256 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000745921_100000746330 [0,1,0,0,0,0|2,0,1]=4 1257 B14R0.199 CCOC(=O)CCN(C)CCCCOC 2230a_100000745921_100000730899 [0,1,0,0,0,0|2,0,1]=4 1258 B14R0.199 CCOC(=O)CCN(C)CCCCOC 269982a_100000745921_100000730899 [0,1,0,0,0,0|2,0,1]=4 1259 B14R0.199 CCOC(=O)CNC(=O)CCCCCO 188690a_100000741813_100102619762 [0,1,0,0,0,0|2,0,1]=4 1260 B14R0.199 CCOC(=O)NCC(=O)CCCCCF 1458a_100000190774_100000729378 [0,1,0,0,0,0|2,0,1]=4 1261 B14R0.199 CCOC(=O)NCC(=O)CCCCCO 1458a_100000190774_100000746330 [0,1,0,0,0,0|2,0,1]=4 1262 B14R0.199 CCOC(=O)NCC(=O)CCCCOC 1458a_100000190774_100000755781 [0,1,0,0,0,0|2,0,1]=4 1263 B14R0.199 CCOC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000190774 [0,1,0,0,0,0|3,0,0]=4 1264 B14R0.199 CCOC(=O)NCC(=O)NCCCCO 527a_100000750430_100000190774 [0,1,0,0,0,0|3,0,0]=4 1265 B14R0.199 CCOC(=O)NCC(=O)NCCCOC 1626a_100150723488_100000190774 [0,1,0,0,0,0|3,0,0]=4 1266 B14R0.199 CCOC(=O)NCC(=O)NCCCOC 240690a_100150723488_100000190774 [0,1,0,0,0,0|3,0,0]=4 1267 B14R0.199 CCOC(=O)NCC(=O)NCCCOC 527a_100150723488_100000190774 [0,1,0,0,0,0|3,0,0]=4 1268 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 11a_100000749238_100000190774 [0,1,0,0,0,0|3,0,0]=4 1269 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 1626a_100000749238_100000190774 [0,1,0,0,0,0|3,0,0]=4 1270 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 240690a_100000749238_100000190774 [0,1,0,0,0,0|3,0,0]=4 1271 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 527a_100000749238_100000190774 [0,1,0,0,0,0|3,0,0]=4 1272 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 11a_100000106463_100000190774 [0,1,0,0,0,0|3,0,0]=4 1273 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 1626a_100000106463_100000190774 [0,1,0,0,0,0|3,0,0]=4 1274 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 240690a_100000106463_100000190774 [0,1,0,0,0,0|3,0,0]=4 1275 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 527a_100000106463_100000190774 [0,1,0,0,0,0|3,0,0]=4 1276 B14R0.199 CCOCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012232248 [0,1,0,0,0,0|1,0,1]=3 1277 B14R0.199 CCOCCCC(=O)CNC(=O)OCC 1458a_100000190774_100012232248 [0,1,0,0,0,0|2,0,1]=4 1278 B14R0.199 CCOCCCN(C)CCC(=O)OCC 2230a_100000745921_100012232248 [0,1,0,0,0,0|2,0,1]=4 1279 B14R0.199 CCOCCCN(C)CCC(=O)OCC 269982a_100000745921_100012232248 [0,1,0,0,0,0|2,0,1]=4 1280 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 11a_100011200944_100000183558 [0,1,0,0,0,0|2,0,0]=3 1281 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 1626a_102516460346_100000183558 [0,1,0,0,0,0|2,0,0]=3 1282 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 240690a_100011200944_100000183558 [0,1,0,0,0,0|2,0,0]=3 1283 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 11a_100011200944_100000190774 [0,1,0,0,0,0|3,0,0]=4 1284 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 1626a_102516460346_100000190774 [0,1,0,0,0,0|3,0,0]=4 1285 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 240690a_100011200944_100000190774 [0,1,0,0,0,0|3,0,0]=4 1286 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 527a_100011200944_100000190774 [0,1,0,0,0,0|3,0,0]=4 1287 B14R0.199 CCOCCNC(C)CCC(=O)OCC 2230a_102516460346_100000748298 [0,1,0,0,0,0|2,0,1]=4 1288 B14R0.199 CCOCCNC(C)CCC(=O)OCC 34a_102516460346_100000748298 [0,1,0,0,0,0|2,0,1]=4 1289 B14R0.199 CCOCCOC(C)CCC(=O)OCC 34a_100000210136_100000748298 [0,1,0,0,0,0|2,0,1]=4 1290 B14R0.199 CCOCCOC(C)CCC(=O)OCC 7a_100000210136_100000748298 [0,1,0,0,0,0|2,0,1]=4 1291 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000210147_100000748298 [0,1,0,0,0,0|2,0,1]=4 1292 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000748298_100011215890 [0,1,0,0,0,0|2,0,1]=4 1293 B14R0.391 C=C(C)CC(=O)CC/C=C/CCCCC 1458a_200015255902_100000748629 [0,1,0,0,0,0|1,0,1]=3 1294 B14R0.391 C=C(F)CC(=O)CC/C=C/CCCCC 1458a_200015255902_100009893438 [0,1,0,0,0,0|1,0,2]=4 1295 B14R0.391 CC(C)OC(=O)CCNCCCCCO 2230a_100000762737_100000760027 [0,1,0,0,0,0|2,0,1]=4 1296 B14R0.391 CC(C)OC(=O)CCOCCCCCBr 7a_100000746331_100000760027 [0,1,0,0,0,0|2,0,1]=4 1297 B14R0.391 CC(C)OC(=O)CCOCCCCCCl 7a_100000746330_100000760027 [0,1,0,0,0,0|2,0,1]=4 1298 B14R0.391 CC(C)OC(=O)CCOCCCCCI 7a_200012148887_100000760027 [0,1,0,0,0,0|2,0,1]=4 1299 B14R0.391 CC(C)OC(=O)CCSCCCCCF 62a_100000729378_100000760027 [0,1,0,0,0,0|2,0,1]=4 1300 B14R0.391 CC(C)OC(=O)CCSCCCCCF 62a_100000760027_100000729378 [0,1,0,0,0,0|2,0,1]=4 1301 B14R0.391 CC(C)OC(=O)CCSCCCCCO 62a_100000746330_100000760027 [0,1,0,0,0,0|2,0,1]=4 1302 B14R0.391 CC(C)OC(=O)CCSCCCCCO 62a_100000760027_100000746330 [0,1,0,0,0,0|2,0,1]=4 1303 B14R0.391 CCCC/C=C/COCC(=O)OC(C)C 34a_200016272032_100011215430 [0,1,0,0,0,0|1,0,2]=4 1304 B14R0.391 CCCC/C=C/COCC(=O)OC(C)C 7a_200016272032_100011215430 [0,1,0,0,0,0|1,0,2]=4 1305 B14R0.391 CCCCC/C=C/CCC(=O)CC(=O)N 1458a_200015255902_100000187820 [0,1,0,0,0,0|2,0,1]=4 1306 B14R0.391 CCCCC/C=C/CCC(=O)CC(=O)[O-] 1458a_200015255902_100020667443 [0,1,0,0,0,0|2,0,1]=4 1307 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)C 1458a_200015255902_100000210624 [0,1,0,0,0,0|1,0,0]=2 1308 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)O 1458a_200015255902_100011218427 [0,1,0,0,0,0|1,0,0]=2 1309 B14R0.391 CCCCC/C=C/CCC(=O)CC(F)F 1458a_200015255902_100011934356 [0,1,0,0,0,0|2,0,0]=3 1310 B14R0.391 CCCCC/C=C/CCC(=O)C[N+](=O)[O-] 1458a_200015255902_100000761209 [0,1,0,0,0,0|3,0,0]=4 1311 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 11a_100138425928_200015255902 [0,1,0,0,0,0|1,0,0]=2 1312 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 1626a_100138425928_200015255902 [0,1,0,0,0,0|1,0,0]=2 1313 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 240690a_100138425928_200015255902 [0,1,0,0,0,0|1,0,0]=2 1314 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 527a_100138425928_200015255902 [0,1,0,0,0,0|1,0,0]=2 1315 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)C 1458a_100020681715_100000210624 [0,1,0,0,0,0|1,0,2]=4 1316 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)O 1458a_100020681715_100011218427 [0,1,0,0,0,0|1,0,2]=4 1317 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 1318 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 1319 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 1320 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210670 [0,1,0,0,0,0|1,0,2]=4 1321 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210558_100000210624 [0,1,0,0,0,0|1,0,2]=4 1322 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,1,0,0,0,0|1,0,2]=4 1323 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,1,0,0,0,0|1,0,2]=4 1324 B14R0.391 CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1325 B14R0.391 CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1326 B14R0.391 CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1327 B14R0.391 CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1328 B14R0.391 CCCCCCCNCC(=O)OC(C)C 2230a_100000229938_100011215430 [0,1,0,0,0,0|1,0,2]=4 1329 B14R0.391 CCCCCCCOCC(=O)OC(C)C 34a_100000210272_100011215430 [0,1,0,0,0,0|1,0,2]=4 1330 B14R0.391 CCCCCCCOCC(=O)OC(C)C 7a_100000210272_100011215430 [0,1,0,0,0,0|1,0,2]=4 1331 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100000210614_100011215430 [0,1,0,0,0,0|1,0,2]=4 1332 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210316 [0,1,0,0,0,0|1,0,2]=4 1333 B14R0.391 CCCCCCNCCC(=O)NC(C)C 2230a_100000210581_100000737564 [0,1,0,0,0,0|2,0,1]=4 1334 B14R0.391 CCCCCCNCCC(=O)OC(C)C 2230a_100000210581_100000760027 [0,1,0,0,0,0|1,0,1]=3 1335 B14R0.391 CCCCCCOCCC(=O)NC(C)C 7a_100000210259_100000737564 [0,1,0,0,0,0|2,0,1]=4 1336 B14R0.391 CCCCCCOCCC(=O)OC(C)C 7a_100000210259_100000760027 [0,1,0,0,0,0|1,0,1]=3 1337 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000210314_100000737564 [0,1,0,0,0,0|2,0,1]=4 1338 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210757 [0,1,0,0,0,0|2,0,1]=4 1339 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000210314_100000760027 [0,1,0,0,0,0|1,0,1]=3 1340 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210757 [0,1,0,0,0,0|1,0,1]=3 1341 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,1,0,0,0,0|2,0,1]=4 1342 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,1,0,0,0,0|2,0,1]=4 1343 B14R0.391 CCCCOCSCCC(=O)OC(C)C 62a_100000760027_100011995733 [0,1,0,0,0,0|2,0,1]=4 1344 B14R0.391 CCCCOCSCCC(=O)OC(C)C 62a_100011995733_100000760027 [0,1,0,0,0,0|2,0,1]=4 1345 B14R0.391 CCCOCCCCCC(=O)OC(C)C 34a_100000210258_200010986244 [0,1,0,0,0,0|1,0,2]=4 1346 B14R0.391 CCCOCCNCCC(=O)OC(C)C 2230a_100161115042_100000760027 [0,1,0,0,0,0|2,0,1]=4 1347 B14R0.391 CCCOCCOCCC(=O)OC(C)C 7a_100000752267_100000760027 [0,1,0,0,0,0|2,0,1]=4 1348 B14R0.391 CCCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215938 [0,1,0,0,0,0|2,0,1]=4 1349 B14R0.391 CCCOCCSCCC(=O)OC(C)C 62a_100011215938_100000760027 [0,1,0,0,0,0|2,0,1]=4 1350 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_100000210303_200010986244 [0,1,0,0,0,0|1,0,2]=4 1351 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210303 [0,1,0,0,0,0|1,0,2]=4 1352 B14R0.391 CCCSCCNCCC(=O)OC(C)C 2230a_100020603323_100000760027 [0,1,0,0,0,0|2,0,1]=4 1353 B14R0.391 CCCSCCOCCC(=O)OC(C)C 7a_200000230433_100000760027 [0,1,0,0,0,0|2,0,1]=4 1354 B14R0.391 CCOCCCNCCC(=O)OC(C)C 2230a_100000210961_100000760027 [0,1,0,0,0,0|2,0,1]=4 1355 B14R0.391 CCOCCCOCCC(=O)OC(C)C 7a_100000757476_100000760027 [0,1,0,0,0,0|2,0,1]=4 1356 B14R0.391 CCOCCCSCCC(=O)OC(C)C 62a_100000760027_100012232248 [0,1,0,0,0,0|2,0,1]=4 1357 B14R0.391 CCOCCCSCCC(=O)OC(C)C 62a_100012232248_100000760027 [0,1,0,0,0,0|2,0,1]=4 1358 B14R0.391 CCSCCCOCCC(=O)OC(C)C 7a_100011216438_100000760027 [0,1,0,0,0,0|2,0,1]=4 1359 B14R0.391 COCCCCSCCC(=O)OC(C)C 62a_100000730899_100000760027 [0,1,0,0,0,0|2,0,1]=4 1360 B14R0.391 COCCCCSCCC(=O)OC(C)C 62a_100000760027_100000730899 [0,1,0,0,0,0|2,0,1]=4 1361 B14R0.391 CSCCCCOCCC(=O)OC(C)C 7a_100011217163_100000760027 [0,1,0,0,0,0|2,0,1]=4 1362 B14R0.393 C#CCCCCCOCCC(=O)OCC 34a_100000766912_100000765890 [0,1,0,0,0,0|1,0,2]=4 1363 B14R0.393 C#CCCCCCOCCC(=O)OCC 7a_100000766912_100011206558 [0,1,0,0,0,0|1,0,2]=4 1364 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100000765890_100012094781 [0,1,0,0,0,0|1,0,2]=4 1365 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100012094781_100000765890 [0,1,0,0,0,0|1,0,2]=4 1366 B14R0.393 C#CCCCCNCCCC(=O)OCC 2230a_100000706060_100009991533 [0,1,0,0,0,0|1,0,2]=4 1367 B14R0.393 C#CCCCCNCCCC(=O)OCC 34a_100000706060_100009991533 [0,1,0,0,0,0|1,0,2]=4 1368 B14R0.393 C#CCCCCOCCCC(=O)OCC 34a_100000766709_100009991533 [0,1,0,0,0,0|1,0,2]=4 1369 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100000766709_100011215271 [0,1,0,0,0,0|1,0,2]=4 1370 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100012001163_100010269958 [0,1,0,0,0,0|1,0,2]=4 1371 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100009991533_100010269958 [0,1,0,0,0,0|1,0,2]=4 1372 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100010269958_100009991533 [0,1,0,0,0,0|1,0,2]=4 1373 B14R0.393 C=CCCC/C=C/COCC(=O)CCC 7a_200016268473_100000747444 [0,1,0,0,0,0|1,0,2]=4 1374 B14R0.393 C=CCCC/C=C/COCC(=O)NCC 34a_200016268473_100000183381 [0,1,0,0,0,0|1,0,2]=4 1375 B14R0.393 C=CCCC/C=C/COCC(=O)NCC 7a_200016268473_100000183381 [0,1,0,0,0,0|1,0,2]=4 1376 B14R0.393 C=CCCC/C=C/COCC(=O)OCC 34a_200016268473_100000188475 [0,1,0,0,0,0|0,0,2]=3 1377 B14R0.393 C=CCCC/C=C/COCC(=O)OCC 7a_200016268473_100000188475 [0,1,0,0,0,0|0,0,2]=3 1378 B14R0.393 C=CCCCCCOCCC(=O)OCC 34a_100011216702_100000765890 [0,1,0,0,0,0|1,0,2]=4 1379 B14R0.393 C=CCCCCCOCCC(=O)OCC 7a_100011216702_100011206558 [0,1,0,0,0,0|1,0,2]=4 1380 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000700193_100000765890 [0,1,0,0,0,0|1,0,2]=4 1381 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000765890_100000700193 [0,1,0,0,0,0|1,0,2]=4 1382 B14R0.393 C=CCCCCNCCCC(=O)OCC 2230a_100000703577_100009991533 [0,1,0,0,0,0|1,0,2]=4 1383 B14R0.393 C=CCCCCNCCCC(=O)OCC 34a_100000703577_100009991533 [0,1,0,0,0,0|1,0,2]=4 1384 B14R0.393 C=CCCCCOCCCC(=O)OCC 34a_100000766645_100009991533 [0,1,0,0,0,0|1,0,2]=4 1385 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100000766645_100011215271 [0,1,0,0,0,0|1,0,2]=4 1386 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100012001163_100011215482 [0,1,0,0,0,0|1,0,2]=4 1387 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100009991533_100011215482 [0,1,0,0,0,0|1,0,2]=4 1388 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100011215482_100009991533 [0,1,0,0,0,0|1,0,2]=4 1389 B14R0.393 C=COC(=O)COC/C=C/CCCCC 34a_100016258190_100000036128 [0,1,0,0,0,0|0,0,2]=3 1390 B14R0.393 CC/C=C/CCCOCCC(=O)OCC 34a_100016287902_100000765890 [0,1,0,0,0,0|1,0,2]=4 1391 B14R0.393 CC/C=C/CCCOCCC(=O)OCC 7a_100016287902_100011206558 [0,1,0,0,0,0|1,0,2]=4 1392 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 34a_100016288707_100009991533 [0,1,0,0,0,0|1,0,2]=4 1393 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 7a_100012001163_100015370543 [0,1,0,0,0,0|1,0,2]=4 1394 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 7a_100016288707_100011215271 [0,1,0,0,0,0|1,0,2]=4 1395 B14R0.393 CC/C=C\CCSCCCC(=O)OCC 62a_100009991533_100015370543 [0,1,0,0,0,0|1,0,2]=4 1396 B14R0.393 CC/C=C\CCSCCCC(=O)OCC 62a_100015370543_100009991533 [0,1,0,0,0,0|1,0,2]=4 1397 B14R0.393 CC=CCCCOCCCC(=O)OCC 34a_100020645299_100009991533 [0,1,0,0,0,0|1,0,2]=4 1398 B14R0.393 CCC#CCCOCCCC(=O)OCC 34a_100000036655_100009991533 [0,1,0,0,0,0|1,0,2]=4 1399 B14R0.393 CCC#CCCOCCCC(=O)OCC 7a_100000036655_100011215271 [0,1,0,0,0,0|1,0,2]=4 1400 B14R0.393 CCC/C=C/C=C/COCC(=O)NCC 34a_100016294078_100000183381 [0,1,0,0,0,0|1,0,2]=4 1401 B14R0.393 CCC/C=C/C=C/COCC(=O)OCC 34a_100016294078_100000188475 [0,1,0,0,0,0|0,0,2]=3 1402 B14R0.393 CCC/C=C/COCCCC(=O)OCC 34a_100016278788_100009991533 [0,1,0,0,0,0|1,0,2]=4 1403 B14R0.393 CCC/C=C/COCCCC(=O)OCC 7a_100016278788_100011215271 [0,1,0,0,0,0|1,0,2]=4 1404 B14R0.393 CCCC#CCCOCCC(=O)OCC 34a_100000042726_100000765890 [0,1,0,0,0,0|1,0,2]=4 1405 B14R0.393 CCCC#CCCOCCC(=O)OCC 7a_100000042726_100011206558 [0,1,0,0,0,0|1,0,2]=4 1406 B14R0.393 CCCC#CCOCCCC(=O)OCC 34a_100000034806_100009991533 [0,1,0,0,0,0|1,0,2]=4 1407 B14R0.393 CCCC#CCOCCCC(=O)OCC 7a_100000034806_100011215271 [0,1,0,0,0,0|1,0,2]=4 1408 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,0,0,0,0|1,0,2]=4 1409 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,0,0,0,0|1,0,2]=4 1410 B14R0.393 CCCC/C=C/COCCC(=O)NCC 7a_200016272032_100000737597 [0,1,0,0,0,0|1,0,2]=4 1411 B14R0.393 CCCC/C=C/COCCC(=O)OCC 34a_200016272032_100000765890 [0,1,0,0,0,0|0,0,2]=3 1412 B14R0.393 CCCC/C=C/COCCC(=O)OCC 7a_200016272032_100011206558 [0,1,0,0,0,0|0,0,2]=3 1413 B14R0.393 CCCC/C=C\CCOCC(=O)CCC 7a_200016286491_100000747444 [0,1,0,0,0,0|1,0,2]=4 1414 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 34a_200016286491_100000183381 [0,1,0,0,0,0|1,0,2]=4 1415 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 7a_200016286491_100000183381 [0,1,0,0,0,0|1,0,2]=4 1416 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 34a_200016286491_100000188475 [0,1,0,0,0,0|0,0,2]=3 1417 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 7a_200016286491_100000188475 [0,1,0,0,0,0|0,0,2]=3 1418 B14R0.393 CCCCC#CCCOCC(=O)OCC 34a_100000037610_100000188475 [0,1,0,0,0,0|0,0,3]=4 1419 B14R0.393 CCCCC#CCCOCC(=O)OCC 7a_100000037610_100000188475 [0,1,0,0,0,0|0,0,3]=4 1420 B14R0.393 CCCCC#CCOCCC(=O)OCC 34a_200000034558_100000765890 [0,1,0,0,0,0|0,0,3]=4 1421 B14R0.393 CCCCC#CCOCCC(=O)OCC 7a_200000034558_100011206558 [0,1,0,0,0,0|0,0,3]=4 1422 B14R0.393 CCCCC/C=C/COCC(=O)CCC 7a_100016258190_100000747444 [0,1,0,0,0,0|1,0,0]=2 1423 B14R0.393 CCCCC/C=C/COCC(=O)NCC 34a_100016258190_100000183381 [0,1,0,0,0,0|1,0,0]=2 1424 B14R0.393 CCCCC/C=C/COCC(=O)NCC 7a_100016258190_100000183381 [0,1,0,0,0,0|1,0,0]=2 1425 B14R0.393 CCCCC/C=C/COCC(=O)NCO 34a_100016258190_100000185155 [0,1,0,0,0,0|2,0,0]=3 1426 B14R0.393 CCCCC/C=C/COCC(=O)NCO 7a_100016258190_100000185155 [0,1,0,0,0,0|2,0,0]=3 1427 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,1,0,0,0,0|0,0,0]=1 1428 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,1,0,0,0,0|0,0,0]=1 1429 B14R0.393 CCCCC/C=C/COCC(C)CCC 34a_100016258190_100011216630 [0,1,0,0,0,0|2,0,1]=4 1430 B14R0.393 CCCCC/C=C/COCC(C)CCC 7a_100016258190_100011216630 [0,1,0,0,0,0|2,0,1]=4 1431 B14R0.393 CCCCC/C=C\CCOC(C)CCC 34a_100016277358_100000766640 [0,1,0,0,0,0|2,0,1]=4 1432 B14R0.393 CCCCC/C=C\CCOC(C)CCC 7a_100016277358_100000766640 [0,1,0,0,0,0|2,0,1]=4 1433 B14R0.393 CCCCCC#CCNCC(=O)NCC 2230a_100016988866_100009816472 [0,1,0,0,0,0|1,0,2]=4 1434 B14R0.393 CCCCCC#CCOCC(=O)CCC 7a_200000033628_100000747444 [0,1,0,0,0,0|1,0,2]=4 1435 B14R0.393 CCCCCC#CCOCC(=O)NCC 34a_200000033628_100000183381 [0,1,0,0,0,0|1,0,2]=4 1436 B14R0.393 CCCCCC#CCOCC(=O)NCC 7a_200000033628_100000183381 [0,1,0,0,0,0|1,0,2]=4 1437 B14R0.393 CCCCCC#CCOCC(=O)OCC 34a_200000033628_100000188475 [0,1,0,0,0,0|0,0,2]=3 1438 B14R0.393 CCCCCC#CCOCC(=O)OCC 7a_200000033628_100000188475 [0,1,0,0,0,0|0,0,2]=3 1439 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100000747444_100009816472 [0,1,0,0,0,0|1,0,2]=4 1440 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100009816472_100000747444 [0,1,0,0,0,0|1,0,2]=4 1441 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100000183381_100009816472 [0,1,0,0,0,0|1,0,2]=4 1442 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100009816472_100000183381 [0,1,0,0,0,0|1,0,2]=4 1443 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100000188475_100009816472 [0,1,0,0,0,0|0,0,2]=3 1444 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100009816472_100000188475 [0,1,0,0,0,0|0,0,2]=3 1445 B14R0.393 CCCCCC=CC=NNC(=O)CCC 4a_100000189770_100016268540 [0,1,0,0,0,0|2,0,1]=4 1446 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,0,0,0,0|1,0,2]=4 1447 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,0,0,0,0|1,0,2]=4 1448 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,1,0,0,0,0|1,0,2]=4 1449 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,1,0,0,0,0|1,0,2]=4 1450 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1451 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1452 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1453 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1454 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,1,0,0,0,0|1,0,2]=4 1455 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,1,0,0,0,0|1,0,2]=4 1456 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,1,0,0,0,0|1,0,2]=4 1457 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,1,0,0,0,0|1,0,2]=4 1458 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,1,0,0,0,0|1,0,2]=4 1459 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,1,0,0,0,0|1,0,2]=4 1460 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,1,0,0,0,0|1,0,2]=4 1461 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,1,0,0,0,0|1,0,2]=4 1462 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,1,0,0,0,0|1,0,2]=4 1463 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,1,0,0,0,0|1,0,2]=4 1464 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,1,0,0,0,0|0,0,2]=3 1465 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,1,0,0,0,0|0,0,2]=3 1466 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,1,0,0,0,0|1,0,2]=4 1467 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,1,0,0,0,0|1,0,2]=4 1468 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,1,0,0,0,0|1,0,2]=4 1469 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,1,0,0,0,0|1,0,2]=4 1470 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,1,0,0,0,0|1,0,2]=4 1471 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,1,0,0,0,0|1,0,2]=4 1472 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,1,0,0,0,0|1,0,2]=4 1473 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,1,0,0,0,0|0,0,2]=3 1474 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,1,0,0,0,0|0,0,2]=3 1475 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,1,0,0,0,0|1,0,2]=4 1476 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,1,0,0,0,0|1,0,2]=4 1477 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,1,0,0,0,0|1,0,2]=4 1478 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,1,0,0,0,0|1,0,2]=4 1479 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,1,0,0,0,0|0,0,2]=3 1480 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,1,0,0,0,0|0,0,2]=3 1481 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,1,0,0,0,0|1,0,2]=4 1482 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,1,0,0,0,0|1,0,2]=4 1483 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,1,0,0,0,0|0,0,2]=3 1484 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,1,0,0,0,0|1,0,2]=4 1485 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,1,0,0,0,0|0,0,2]=3 1486 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,1,0,0,0,0|0,0,2]=3 1487 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,1,0,0,0,0|1,0,2]=4 1488 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,1,0,0,0,0|1,0,2]=4 1489 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,1,0,0,0,0|0,0,2]=3 1490 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,1,0,0,0,0|0,0,2]=3 1491 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,1,0,0,0,0|1,0,2]=4 1492 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,1,0,0,0,0|1,0,2]=4 1493 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,1,0,0,0,0|0,0,2]=3 1494 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,1,0,0,0,0|1,0,2]=4 1495 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,1,0,0,0,0|1,0,2]=4 1496 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,1,0,0,0,0|0,0,2]=3 1497 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,1,0,0,0,0|0,0,2]=3 1498 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,1,0,0,0,0|0,0,2]=3 1499 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,1,0,0,0,0|1,0,1]=3 1500 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,1,0,0,0,0|1,0,1]=3 1501 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,1,0,0,0,0|1,0,2]=4 1502 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,1,0,0,0,0|1,0,2]=4 1503 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,1,0,0,0,0|0,0,2]=3 1504 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,1,0,0,0,0|0,0,2]=3 1505 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,1,0,0,0,0|1,0,1]=3 1506 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,1,0,0,0,0|0,0,2]=3 1507 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [0,1,0,0,0,0|2,0,1]=4 1508 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,1,0,0,0,0|1,0,1]=3 1509 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,1,0,0,0,0|1,0,1]=3 1510 B14R0.393 CCCCCNN=CC=CC(=O)OCC 4a_100000694160_100016289910 [0,1,0,0,0,0|1,0,2]=4 1511 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,1,0,0,0,0|0,0,2]=3 1512 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,1,0,0,0,0|0,0,2]=3 1513 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [0,1,0,0,0,0|2,0,1]=4 1514 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [0,1,0,0,0,0|2,0,1]=4 1515 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [0,1,0,0,0,0|2,0,1]=4 1516 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,1,0,0,0,0|1,0,1]=3 1517 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,1,0,0,0,0|1,0,1]=3 1518 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,1,0,0,0,0|1,0,1]=3 1519 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,1,0,0,0,0|1,0,1]=3 1520 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,1,0,0,0,0|1,0,1]=3 1521 B14R0.393 CCCCCSCC=NNC(=O)OCC 62a_100000210326_100015372823 [0,1,0,0,0,0|2,0,1]=4 1522 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,1,0,0,0,0|0,0,2]=3 1523 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,1,0,0,0,0|0,0,2]=3 1524 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,1,0,0,0,0|1,0,1]=3 1525 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,1,0,0,0,0|1,0,1]=3 1526 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,1,0,0,0,0|0,0,2]=3 1527 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,1,0,0,0,0|0,0,2]=3 1528 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,1,0,0,0,0|1,0,2]=4 1529 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,1,0,0,0,0|1,0,2]=4 1530 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,1,0,0,0,0|0,0,2]=3 1531 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,1,0,0,0,0|0,0,2]=3 1532 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,1,0,0,0,0|0,0,2]=3 1533 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,1,0,0,0,0|1,0,2]=4 1534 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,1,0,0,0,0|1,0,2]=4 1535 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,1,0,0,0,0|1,0,2]=4 1536 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,1,0,0,0,0|1,0,2]=4 1537 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,1,0,0,0,0|1,0,2]=4 1538 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,1,0,0,0,0|1,0,2]=4 1539 B14R0.393 CCCCOCCNCCC(=O)NCC 34a_100025743525_100000743108 [0,1,0,0,0,0|2,0,1]=4 1540 B14R0.393 CCCCOCCOCCC(=O)NCC 7a_100000210238_100000737597 [0,1,0,0,0,0|2,0,1]=4 1541 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,1,0,0,0,0|1,0,1]=3 1542 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,1,0,0,0,0|1,0,1]=3 1543 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000737597_100000743108 [0,1,0,0,0,0|2,0,1]=4 1544 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000743108_100000737597 [0,1,0,0,0,0|2,0,1]=4 1545 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,1,0,0,0,0|1,0,1]=3 1546 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,1,0,0,0,0|1,0,1]=3 1547 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,1,0,0,0,0|2,0,1]=4 1548 B14R0.393 CCCCOCOCCNC(=O)OCC 34a_100000158857_100011995733 [0,1,0,0,0,0|2,0,1]=4 1549 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,1,0,0,0,0|1,0,1]=3 1550 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,1,0,0,0,0|1,0,1]=3 1551 B14R0.393 CCCCOCSCCNC(=O)OCC 62a_100011995733_200011445536 [0,1,0,0,0,0|2,0,1]=4 1552 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,1,0,0,0,0|0,0,2]=3 1553 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,1,0,0,0,0|0,0,2]=3 1554 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,1,0,0,0,0|1,0,2]=4 1555 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,1,0,0,0,0|1,0,2]=4 1556 B14R0.393 CCCCSCCNCCC(=O)NCC 2230a_100025743550_100000737597 [0,1,0,0,0,0|2,0,1]=4 1557 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,1,0,0,0,0|1,0,1]=3 1558 B14R0.393 CCCCSCCOCCC(=O)NCC 7a_200000230436_100000737597 [0,1,0,0,0,0|2,0,1]=4 1559 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,1,0,0,0,0|1,0,1]=3 1560 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,1,0,0,0,0|1,0,1]=3 1561 B14R0.393 CCCNN=CCCCCC(=O)OCC 4a_100000740057_100012182868 [0,1,0,0,0,0|2,0,1]=4 1562 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,1,0,0,0,0|0,0,2]=3 1563 B14R0.393 CCCOCCCNCCC(=O)NCC 2230a_100011217757_100000737597 [0,1,0,0,0,0|2,0,1]=4 1564 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,1,0,0,0,0|1,0,1]=3 1565 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,1,0,0,0,0|1,0,1]=3 1566 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,1,0,0,0,0|1,0,1]=3 1567 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,1,0,0,0,0|1,0,1]=3 1568 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,1,0,0,0,0|1,0,1]=3 1569 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,1,0,0,0,0|1,0,1]=3 1570 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,1,0,0,0,0|1,0,1]=3 1571 B14R0.393 CCCOCCOCCNC(=O)OCC 34a_100000158857_100011215938 [0,1,0,0,0,0|2,0,1]=4 1572 B14R0.393 CCCOCCOCCNC(=O)OCC 7a_100000752267_200011445536 [0,1,0,0,0,0|2,0,1]=4 1573 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,1,0,0,0,0|1,0,1]=3 1574 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,1,0,0,0,0|1,0,1]=3 1575 B14R0.393 CCCOCCSCCNC(=O)OCC 62a_100011215938_200011445536 [0,1,0,0,0,0|2,0,1]=4 1576 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,1,0,0,0,0|0,0,2]=3 1577 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,1,0,0,0,0|1,0,1]=3 1578 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,1,0,0,0,0|1,0,1]=3 1579 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,1,0,0,0,0|1,0,1]=3 1580 B14R0.393 CCCSCCOCCNC(=O)OCC 7a_200000230433_200011445536 [0,1,0,0,0,0|2,0,1]=4 1581 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,1,0,0,0,0|1,0,2]=4 1582 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,1,0,0,0,0|1,0,2]=4 1583 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,1,0,0,0,0|1,0,2]=4 1584 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,1,0,0,0,0|1,0,2]=4 1585 B14R0.393 CCNC(=O)CCNCCCCCCF 34a_100025743525_100015922095 [0,1,0,0,0,0|2,0,1]=4 1586 B14R0.393 CCNC(=O)CCNCCCCCCO 2230a_100000686447_100000737597 [0,1,0,0,0,0|2,0,1]=4 1587 B14R0.393 CCNC(=O)CCNCCCCCCO 34a_100025743525_100000766143 [0,1,0,0,0,0|2,0,1]=4 1588 B14R0.393 CCNC(=O)CCNCCCCCOC 2230a_100000747528_100000737597 [0,1,0,0,0,0|2,0,1]=4 1589 B14R0.393 CCNC(=O)CCOCCCCCCBr 7a_100011215345_100000737597 [0,1,0,0,0,0|2,0,1]=4 1590 B14R0.393 CCNC(=O)CCOCCCCCCCl 7a_100000766143_100000737597 [0,1,0,0,0,0|2,0,1]=4 1591 B14R0.393 CCNC(=O)CCOCCCCCCF 7a_100000732779_100000737597 [0,1,0,0,0,0|2,0,1]=4 1592 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100000737597_100015922095 [0,1,0,0,0,0|2,0,1]=4 1593 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100015922095_100000737597 [0,1,0,0,0,0|2,0,1]=4 1594 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000737597_100000766143 [0,1,0,0,0,0|2,0,1]=4 1595 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000766143_100000737597 [0,1,0,0,0,0|2,0,1]=4 1596 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,1,0,0,0,0|0,0,2]=3 1597 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,1,0,0,0,0|0,0,2]=3 1598 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,1,0,0,0,0|0,0,2]=3 1599 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,1,0,0,0,0|0,0,2]=3 1600 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,1,0,0,0,0|0,0,2]=3 1601 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,1,0,0,0,0|0,0,2]=3 1602 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,1,0,0,0,0|0,0,2]=3 1603 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,1,0,0,0,0|0,0,2]=3 1604 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,1,0,0,0,0|1,0,2]=4 1605 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,1,0,0,0,0|1,0,2]=4 1606 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,1,0,0,0,0|1,0,2]=4 1607 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,1,0,0,0,0|1,0,2]=4 1608 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,1,0,0,0,0|1,0,2]=4 1609 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,1,0,0,0,0|1,0,2]=4 1610 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,1,0,0,0,0|1,0,2]=4 1611 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,1,0,0,0,0|1,0,2]=4 1612 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,1,0,0,0,0|1,0,2]=4 1613 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,1,0,0,0,0|1,0,2]=4 1614 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,1,0,0,0,0|1,0,2]=4 1615 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,1,0,0,0,0|1,0,2]=4 1616 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,1,0,0,0,0|1,0,2]=4 1617 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,1,0,0,0,0|1,0,2]=4 1618 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,1,0,0,0,0|1,0,2]=4 1619 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,1,0,0,0,0|1,0,2]=4 1620 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,1,0,0,0,0|1,0,2]=4 1621 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,1,0,0,0,0|1,0,2]=4 1622 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,1,0,0,0,0|1,0,2]=4 1623 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,1,0,0,0,0|1,0,2]=4 1624 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,1,0,0,0,0|1,0,2]=4 1625 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,1,0,0,0,0|1,0,2]=4 1626 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,1,0,0,0,0|1,0,2]=4 1627 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,1,0,0,0,0|1,0,2]=4 1628 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,1,0,0,0,0|1,0,2]=4 1629 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,1,0,0,0,0|1,0,2]=4 1630 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,1,0,0,0,0|1,0,2]=4 1631 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,1,0,0,0,0|1,0,2]=4 1632 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,1,0,0,0,0|1,0,2]=4 1633 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,1,0,0,0,0|1,0,2]=4 1634 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,1,0,0,0,0|1,0,2]=4 1635 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,1,0,0,0,0|1,0,2]=4 1636 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,1,0,0,0,0|1,0,2]=4 1637 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,1,0,0,0,0|1,0,2]=4 1638 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,1,0,0,0,0|1,0,2]=4 1639 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,1,0,0,0,0|1,0,2]=4 1640 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,1,0,0,0,0|1,0,2]=4 1641 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,1,0,0,0,0|1,0,2]=4 1642 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,1,0,0,0,0|1,0,2]=4 1643 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,1,0,0,0,0|1,0,2]=4 1644 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,1,0,0,0,0|1,0,2]=4 1645 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,1,0,0,0,0|1,0,2]=4 1646 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,1,0,0,0,0|1,0,2]=4 1647 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,1,0,0,0,0|1,0,2]=4 1648 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,1,0,0,0,0|1,0,2]=4 1649 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,1,0,0,0,0|1,0,2]=4 1650 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,1,0,0,0,0|1,0,2]=4 1651 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,1,0,0,0,0|1,0,2]=4 1652 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,1,0,0,0,0|1,0,2]=4 1653 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,1,0,0,0,0|1,0,2]=4 1654 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,1,0,0,0,0|1,0,2]=4 1655 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,1,0,0,0,0|1,0,2]=4 1656 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,1,0,0,0,0|1,0,2]=4 1657 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,1,0,0,0,0|1,0,2]=4 1658 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,1,0,0,0,0|1,0,2]=4 1659 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,1,0,0,0,0|1,0,2]=4 1660 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,1,0,0,0,0|1,0,2]=4 1661 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,1,0,0,0,0|1,0,2]=4 1662 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,1,0,0,0,0|1,0,2]=4 1663 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,1,0,0,0,0|1,0,1]=3 1664 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,1,0,0,0,0|1,0,1]=3 1665 B14R0.393 CCOC(=O)CCCNCCOCCO 2230a_100000211614_100009991533 [0,1,0,0,0,0|2,0,1]=4 1666 B14R0.393 CCOC(=O)CCCNCCOCCO 34a_100000211614_100009991533 [0,1,0,0,0,0|2,0,1]=4 1667 B14R0.393 CCOC(=O)CCCNCCSCCO 2230a_100011219999_100009991533 [0,1,0,0,0,0|2,0,1]=4 1668 B14R0.393 CCOC(=O)CCCOCCCCC#N 7a_100012001163_100000211819 [0,1,0,0,0,0|1,0,2]=4 1669 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,1,0,0,0,0|1,0,2]=4 1670 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,1,0,0,0,0|1,0,1]=3 1671 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,1,0,0,0,0|1,0,1]=3 1672 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,1,0,0,0,0|1,0,1]=3 1673 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,1,0,0,0,0|1,0,1]=3 1674 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,1,0,0,0,0|1,0,1]=3 1675 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,1,0,0,0,0|1,0,1]=3 1676 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,1,0,0,0,0|1,0,1]=3 1677 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,1,0,0,0,0|1,0,1]=3 1678 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,1,0,0,0,0|1,0,1]=3 1679 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,1,0,0,0,0|1,0,1]=3 1680 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,1,0,0,0,0|1,0,1]=3 1681 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,1,0,0,0,0|1,0,1]=3 1682 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,1,0,0,0,0|1,0,1]=3 1683 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,1,0,0,0,0|1,0,1]=3 1684 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,1,0,0,0,0|1,0,1]=3 1685 B14R0.393 CCOC(=O)CCCOCCOCCBr 34a_100000692535_100009991533 [0,1,0,0,0,0|2,0,1]=4 1686 B14R0.393 CCOC(=O)CCCOCCOCCBr 7a_100000692535_100011215271 [0,1,0,0,0,0|2,0,1]=4 1687 B14R0.393 CCOC(=O)CCCOCCOCCCl 34a_100011215305_100009991533 [0,1,0,0,0,0|2,0,1]=4 1688 B14R0.393 CCOC(=O)CCCOCCOCCCl 7a_100011215305_100011215271 [0,1,0,0,0,0|2,0,1]=4 1689 B14R0.393 CCOC(=O)CCCOCCOCCF 34a_200015357709_100009991533 [0,1,0,0,0,0|2,0,1]=4 1690 B14R0.393 CCOC(=O)CCCOCCOCCF 7a_200015357709_100011215271 [0,1,0,0,0,0|2,0,1]=4 1691 B14R0.393 CCOC(=O)CCCOCCOCCI 34a_100012149058_100009991533 [0,1,0,0,0,0|2,0,1]=4 1692 B14R0.393 CCOC(=O)CCCOCCOCCI 7a_100012149058_100011215271 [0,1,0,0,0,0|2,0,1]=4 1693 B14R0.393 CCOC(=O)CCCOCCOCCN 34a_100000211614_100009991533 [0,1,0,0,0,0|2,0,1]=4 1694 B14R0.393 CCOC(=O)CCCOCCOCCO 7a_100012001163_100011215305 [0,1,0,0,0,0|2,0,1]=4 1695 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100009991533_100000211819 [0,1,0,0,0,0|1,0,2]=4 1696 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100011219923_100009991533 [0,1,0,0,0,0|1,0,2]=4 1697 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,1,0,0,0,0|1,0,2]=4 1698 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,1,0,0,0,0|1,0,2]=4 1699 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,1,0,0,0,0|1,0,1]=3 1700 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,1,0,0,0,0|1,0,1]=3 1701 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,1,0,0,0,0|1,0,1]=3 1702 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,1,0,0,0,0|1,0,1]=3 1703 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,1,0,0,0,0|1,0,1]=3 1704 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,1,0,0,0,0|1,0,1]=3 1705 B14R0.393 CCOC(=O)CCCSCCOCCO 62a_100009991533_100011215305 [0,1,0,0,0,0|2,0,1]=4 1706 B14R0.393 CCOC(=O)CCCSCCOCCO 62a_100011215305_100009991533 [0,1,0,0,0,0|2,0,1]=4 1707 B14R0.393 CCOC(=O)CCCSCOCCOC 62a_100000231047_100009991533 [0,1,0,0,0,0|2,0,1]=4 1708 B14R0.393 CCOC(=O)CCCSCOCCOC 62a_100009991533_100000231047 [0,1,0,0,0,0|2,0,1]=4 1709 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,1,0,0,0,0|1,0,1]=3 1710 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,1,0,0,0,0|1,0,1]=3 1711 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,1,0,0,0,0|1,0,1]=3 1712 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,1,0,0,0,0|1,0,1]=3 1713 B14R0.393 CCOC(=O)CCNCCOCCOC 2230a_100000745349_100011206558 [0,1,0,0,0,0|2,0,1]=4 1714 B14R0.393 CCOC(=O)CCNCCOCCOC 34a_100000745349_100000765890 [0,1,0,0,0,0|2,0,1]=4 1715 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,1,0,0,0,0|1,0,1]=3 1716 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,1,0,0,0,0|1,0,1]=3 1717 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,1,0,0,0,0|1,0,1]=3 1718 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,1,0,0,0,0|1,0,1]=3 1719 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,1,0,0,0,0|1,0,1]=3 1720 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,1,0,0,0,0|1,0,1]=3 1721 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,1,0,0,0,0|1,0,1]=3 1722 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,1,0,0,0,0|1,0,1]=3 1723 B14R0.393 CCOC(=O)CCOCCOCCNC 34a_100000228057_100000765890 [0,1,0,0,0,0|2,0,1]=4 1724 B14R0.393 CCOC(=O)CCOCCOCCOC 34a_100010737887_200000210301 [0,1,0,0,0,0|2,0,1]=4 1725 B14R0.393 CCOC(=O)CCOCCOCCOC 34a_100011215163_100000765890 [0,1,0,0,0,0|2,0,1]=4 1726 B14R0.393 CCOC(=O)CCOCCOCCOC 7a_100010737887_200000210301 [0,1,0,0,0,0|2,0,1]=4 1727 B14R0.393 CCOC(=O)CCOCCOCCOC 7a_100011215163_100011206558 [0,1,0,0,0,0|2,0,1]=4 1728 B14R0.393 CCOC(=O)CCOCCOCCO[13CH3] 34a_100010737887_200025704644 [0,1,0,0,0,0|2,0,1]=4 1729 B14R0.393 CCOC(=O)CCOCCOCCO[13CH3] 7a_100010737887_200025704644 [0,1,0,0,0,0|2,0,1]=4 1730 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100000765890_100009813376 [0,1,0,0,0,0|1,0,2]=4 1731 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100009813376_100000765890 [0,1,0,0,0,0|1,0,2]=4 1732 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,1,0,0,0,0|1,0,2]=4 1733 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,1,0,0,0,0|1,0,2]=4 1734 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,1,0,0,0,0|1,0,1]=3 1735 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,1,0,0,0,0|1,0,1]=3 1736 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,1,0,0,0,0|1,0,1]=3 1737 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,1,0,0,0,0|1,0,1]=3 1738 B14R0.393 CCOC(=O)CCSCCOCCOC 62a_100000695917_100000765890 [0,1,0,0,0,0|2,0,1]=4 1739 B14R0.393 CCOC(=O)CCSCCOCCOC 62a_100000765890_100000695917 [0,1,0,0,0,0|2,0,1]=4 1740 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,1,0,0,0,0|1,0,2]=4 1741 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,1,0,0,0,0|1,0,2]=4 1742 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,1,0,0,0,0|1,0,2]=4 1743 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,1,0,0,0,0|1,0,2]=4 1744 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,1,0,0,0,0|1,0,2]=4 1745 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,1,0,0,0,0|1,0,2]=4 1746 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,1,0,0,0,0|1,0,2]=4 1747 B14R0.393 CCOC(=O)COCCNCCCCO 2230a_100000750430_100000088970 [0,1,0,0,0,0|2,0,1]=4 1748 B14R0.393 CCOC(=O)COCCNCCCCO 34a_100000750430_100000088970 [0,1,0,0,0,0|2,0,1]=4 1749 B14R0.393 CCOC(=O)COCCNCCCOC 34a_100150723488_100000088970 [0,1,0,0,0,0|2,0,1]=4 1750 B14R0.393 CCOC(=O)COCCNCCCSC 2230a_100000749238_100000088970 [0,1,0,0,0,0|2,0,1]=4 1751 B14R0.393 CCOC(=O)COCCNCCSCC 2230a_100000106463_100000088970 [0,1,0,0,0,0|2,0,1]=4 1752 B14R0.393 CCOC(=O)COCCOCCCCBr 34a_100011216708_100000088970 [0,1,0,0,0,0|2,0,1]=4 1753 B14R0.393 CCOC(=O)COCCOCCCCCl 34a_100000210776_100000088970 [0,1,0,0,0,0|2,0,1]=4 1754 B14R0.393 CCOC(=O)COCCOCCCCCl 7a_100000210776_100000088970 [0,1,0,0,0,0|2,0,1]=4 1755 B14R0.393 CCOC(=O)COCCOCCCCF 34a_100011995726_100000088970 [0,1,0,0,0,0|2,0,1]=4 1756 B14R0.393 CCOC(=O)COCCOCCCCF 7a_100011995726_100000088970 [0,1,0,0,0,0|2,0,1]=4 1757 B14R0.393 CCOC(=O)COCCOCCCCI 34a_200012148704_100000088970 [0,1,0,0,0,0|2,0,1]=4 1758 B14R0.393 CCOC(=O)COCCOCCCCN 34a_100000750430_100000088970 [0,1,0,0,0,0|2,0,1]=4 1759 B14R0.393 CCOC(=O)COCCOCCCNC 34a_100000213112_100000088970 [0,1,0,0,0,0|2,0,1]=4 1760 B14R0.393 CCOC(=O)COCCOCCCOC 34a_100000740835_100000088970 [0,1,0,0,0,0|2,0,1]=4 1761 B14R0.393 CCOC(=O)COCCOCCCSC 34a_100000690336_100000088970 [0,1,0,0,0,0|2,0,1]=4 1762 B14R0.393 CCOC(=O)COCCOCCCSC 7a_100000690336_100000088970 [0,1,0,0,0,0|2,0,1]=4 1763 B14R0.393 CCOC(=O)COCCOCCSCC 34a_100000212035_100000088970 [0,1,0,0,0,0|2,0,1]=4 1764 B14R0.393 CCOC(=O)COCCOCCSCC 7a_100000212035_100000088970 [0,1,0,0,0,0|2,0,1]=4 1765 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000088970_100000729493 [0,1,0,0,0,0|2,0,1]=4 1766 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000729493_100000088970 [0,1,0,0,0,0|2,0,1]=4 1767 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000088970_100000210776 [0,1,0,0,0,0|2,0,1]=4 1768 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000210776_100000088970 [0,1,0,0,0,0|2,0,1]=4 1769 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000088970_100000709357 [0,1,0,0,0,0|2,0,1]=4 1770 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000709357_100000088970 [0,1,0,0,0,0|2,0,1]=4 1771 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000088970_100000757381 [0,1,0,0,0,0|2,0,1]=4 1772 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000757381_100000088970 [0,1,0,0,0,0|2,0,1]=4 1773 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,1,0,0,0,0|1,0,2]=4 1774 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,1,0,0,0,0|1,0,2]=4 1775 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,1,0,0,0,0|1,0,2]=4 1776 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,1,0,0,0,0|1,0,2]=4 1777 B14R0.393 CCOC(=O)CSCCOCCCCF 7a_200000230590_100000729493 [0,1,0,0,0,0|2,0,1]=4 1778 B14R0.393 CCOC(=O)CSCCOCCCCO 7a_200000230590_100000210776 [0,1,0,0,0,0|2,0,1]=4 1779 B14R0.393 CCOC(=O)CSCCOCCCOC 7a_200000230590_100000740836 [0,1,0,0,0,0|2,0,1]=4 1780 B14R0.393 CCOC(=O)CSCCOCCSCC 7a_200000230590_100000757381 [0,1,0,0,0,0|2,0,1]=4 1781 B14R0.393 CCOC(=O)NCCOCCCCCBr 7a_100000746331_200011445536 [0,1,0,0,0,0|2,0,1]=4 1782 B14R0.393 CCOC(=O)NCCOCCCCCCl 7a_100000746330_200011445536 [0,1,0,0,0,0|2,0,1]=4 1783 B14R0.393 CCOC(=O)NCCOCCCCCF 34a_100000158857_100000729378 [0,1,0,0,0,0|2,0,1]=4 1784 B14R0.393 CCOC(=O)NCCOCCCCCI 7a_200012148887_200011445536 [0,1,0,0,0,0|2,0,1]=4 1785 B14R0.393 CCOC(=O)NCCOCCCCCO 34a_100000158857_100000746330 [0,1,0,0,0,0|2,0,1]=4 1786 B14R0.393 CCOC(=O)NCCOCCCCOC 34a_100000158857_100000755781 [0,1,0,0,0,0|2,0,1]=4 1787 B14R0.393 CCOC(=O)NCCOCCCCSC 7a_100011217163_200011445536 [0,1,0,0,0,0|2,0,1]=4 1788 B14R0.393 CCOC(=O)NCCOCCCSCC 7a_100011216438_200011445536 [0,1,0,0,0,0|2,0,1]=4 1789 B14R0.393 CCOC(=O)NCCSCCCCCF 62a_100000729378_200011445536 [0,1,0,0,0,0|2,0,1]=4 1790 B14R0.393 CCOC(=O)NCCSCCCCCO 62a_100000746330_200011445536 [0,1,0,0,0,0|2,0,1]=4 1791 B14R0.393 CCOC(=O)NCCSCCCCOC 62a_100000730899_200011445536 [0,1,0,0,0,0|2,0,1]=4 1792 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,1,0,0,0,0|2,0,1]=4 1793 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,1,0,0,0,0|2,0,1]=4 1794 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,1,0,0,0,0|0,0,2]=3 1795 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,1,0,0,0,0|1,0,1]=3 1796 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,1,0,0,0,0|1,0,1]=3 1797 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,1,0,0,0,0|1,0,1]=3 1798 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,1,0,0,0,0|1,0,1]=3 1799 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,1,0,0,0,0|1,0,1]=3 1800 B14R0.393 CCOCCCOCCNC(=O)OCC 34a_100000158857_100012232248 [0,1,0,0,0,0|2,0,1]=4 1801 B14R0.393 CCOCCCOCCNC(=O)OCC 7a_100000757476_200011445536 [0,1,0,0,0,0|2,0,1]=4 1802 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,1,0,0,0,0|1,0,1]=3 1803 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,1,0,0,0,0|1,0,1]=3 1804 B14R0.393 CCOCCCSCCNC(=O)OCC 62a_100012232248_200011445536 [0,1,0,0,0,0|2,0,1]=4 1805 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,1,0,0,0,0|1,0,2]=4 1806 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,1,0,0,0,0|1,0,2]=4 1807 B14R0.393 CCOCCNCCOCC(=O)OCC 2230a_102516460346_100000088970 [0,1,0,0,0,0|2,0,1]=4 1808 B14R0.393 CCOCCNCCOCC(=O)OCC 34a_102516460346_100000088970 [0,1,0,0,0,0|2,0,1]=4 1809 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,1,0,0,0,0|1,0,2]=4 1810 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,1,0,0,0,0|1,0,2]=4 1811 B14R0.393 CCOCCOCCNCC(=O)OCC 2230a_100102712874_100000188475 [0,1,0,0,0,0|2,0,1]=4 1812 B14R0.393 CCOCCOCCNCC(=O)OCC 34a_100102712874_100000188475 [0,1,0,0,0,0|2,0,1]=4 1813 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210136_100000088970 [0,1,0,0,0,0|2,0,1]=4 1814 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210240_100000188475 [0,1,0,0,0,0|2,0,1]=4 1815 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210136_100000088970 [0,1,0,0,0,0|2,0,1]=4 1816 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210240_100000188475 [0,1,0,0,0,0|2,0,1]=4 1817 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100000188475_100011211534 [0,1,0,0,0,0|2,0,1]=4 1818 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100011211534_100000188475 [0,1,0,0,0,0|2,0,1]=4 1819 B14R0.393 CCOCCOCCSCC(=O)OCC 7a_200000230590_100011215890 [0,1,0,0,0,0|2,0,1]=4 1820 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,1,0,0,0,0|1,0,2]=4 1821 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,1,0,0,0,0|1,0,2]=4 1822 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000088970_100011215890 [0,1,0,0,0,0|2,0,1]=4 1823 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000210147_100000088970 [0,1,0,0,0,0|2,0,1]=4 1824 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,1,0,0,0,0|1,0,2]=4 1825 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,1,0,0,0,0|1,0,2]=4 1826 B14R0.432 CCNC(=O)CCNCCCCC(C)C 34a_100025743525_100011216152 [0,1,0,0,0,0|2,0,1]=4 1827 B14R0.432 CCNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737597 [0,1,0,0,0,0|2,0,1]=4 1828 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100000737597_100011216152 [0,1,0,0,0,0|2,0,1]=4 1829 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737597 [0,1,0,0,0,0|2,0,1]=4 1830 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|0,0,3]=4 1831 B14R0.432 CCOC(=O)CCCCCCCN(C)C 2230a_100102631434_100009991516 [0,1,0,0,0,0|1,0,2]=4 1832 B14R0.432 CCOC(=O)CCCCCCCN(C)C 269982a_100102631434_100009991516 [0,1,0,0,0,0|1,0,2]=4 1833 B14R0.432 CCOC(=O)CCCCCCNC(C)C 2230a_100138425928_100009814379 [0,1,0,0,0,0|1,0,2]=4 1834 B14R0.432 CCOC(=O)CCCCCCNC(C)C 34a_100138425928_100009814379 [0,1,0,0,0,0|1,0,2]=4 1835 B14R0.432 CCOC(=O)CCCCCCOC(C)C 34a_100000212225_100009814379 [0,1,0,0,0,0|1,0,2]=4 1836 B14R0.432 CCOC(=O)CCCCCCSC(C)C 62a_100000210206_100009814379 [0,1,0,0,0,0|1,0,2]=4 1837 B14R0.432 CCOC(=O)CCCCCNCC(C)C 2230a_100000210953_100000755133 [0,1,0,0,0,0|1,0,2]=4 1838 B14R0.432 CCOC(=O)CCCCCNCC(C)C 34a_100000210953_100000755133 [0,1,0,0,0,0|1,0,2]=4 1839 B14R0.432 CCOC(=O)CCCCCNCC(C)O 2230a_100000210904_100000755133 [0,1,0,0,0,0|1,0,2]=4 1840 B14R0.432 CCOC(=O)CCCCCNCC(C)O 34a_100000210904_100000755133 [0,1,0,0,0,0|1,0,2]=4 1841 B14R0.432 CCOC(=O)CCCCCOCC(C)Br 34a_100012180447_100000755133 [0,1,0,0,0,0|1,0,2]=4 1842 B14R0.432 CCOC(=O)CCCCCOCC(C)C 34a_100000210257_100000755133 [0,1,0,0,0,0|1,0,2]=4 1843 B14R0.432 CCOC(=O)CCCCCOCC(C)C 7a_100011214988_100000210760 [0,1,0,0,0,0|1,0,2]=4 1844 B14R0.432 CCOC(=O)CCCCCOCC(C)F 34a_100015925927_100000755133 [0,1,0,0,0,0|1,0,2]=4 1845 B14R0.432 CCOC(=O)CCCCCOCC(C)O 7a_100011214988_100011218427 [0,1,0,0,0,0|1,0,2]=4 1846 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000755133 [0,1,0,0,0,0|1,0,2]=4 1847 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100000755133 [0,1,0,0,0,0|1,0,2]=4 1848 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)O 7a_100011214988_100009817552 [0,1,0,0,0,0|1,0,2]=4 1849 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000210624_100000755133 [0,1,0,0,0,0|1,0,2]=4 1850 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000755133_100000210760 [0,1,0,0,0,0|1,0,2]=4 1851 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100000755133_100011218427 [0,1,0,0,0,0|1,0,2]=4 1852 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100011218427_100000755133 [0,1,0,0,0,0|1,0,2]=4 1853 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100000755133_100009817552 [0,1,0,0,0,0|1,0,2]=4 1854 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100000755133 [0,1,0,0,0,0|1,0,2]=4 1855 B14R0.432 CCOC(=O)CCCCNCCC(C)O 2230a_200000755665_100000750268 [0,1,0,0,0,0|1,0,2]=4 1856 B14R0.432 CCOC(=O)CCCCOCCC(C)Br 34a_100009893172_100000750268 [0,1,0,0,0,0|1,0,2]=4 1857 B14R0.432 CCOC(=O)CCCCOCCC(C)C 34a_100000210254_100000750268 [0,1,0,0,0,0|1,0,2]=4 1858 B14R0.432 CCOC(=O)CCCCOCCC(C)C 7a_100000210254_100000750268 [0,1,0,0,0,0|1,0,2]=4 1859 B14R0.432 CCOC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000750268 [0,1,0,0,0,0|1,0,2]=4 1860 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000210312_100000750268 [0,1,0,0,0,0|1,0,2]=4 1861 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000750268_100000210312 [0,1,0,0,0,0|1,0,2]=4 1862 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100000750268_100012276601 [0,1,0,0,0,0|1,0,2]=4 1863 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100012276601_100000750268 [0,1,0,0,0,0|1,0,2]=4 1864 B14R0.432 CCOC(=O)CCCNCCCC(C)C 2230a_200000737386_100009991533 [0,1,0,0,0,0|1,0,1]=3 1865 B14R0.432 CCOC(=O)CCCNCCCC(C)C 34a_200000737386_100009991533 [0,1,0,0,0,0|1,0,1]=3 1866 B14R0.432 CCOC(=O)CCCNCCCS(=O)C 2230a_200000753449_100009991533 [0,1,0,0,0,0|2,0,1]=4 1867 B14R0.432 CCOC(=O)CCCNCCOC(C)C 2230a_100000701111_100009991533 [0,1,0,0,0,0|2,0,1]=4 1868 B14R0.432 CCOC(=O)CCCNCCOC(C)C 34a_100000701111_100009991533 [0,1,0,0,0,0|2,0,1]=4 1869 B14R0.432 CCOC(=O)CCCNCCSC(C)C 2230a_100000731138_100009991533 [0,1,0,0,0,0|2,0,1]=4 1870 B14R0.432 CCOC(=O)CCCNCCSC(C)C 34a_100000731138_100009991533 [0,1,0,0,0,0|2,0,1]=4 1871 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 34a_100000759063_100009991533 [0,1,0,0,0,0|1,0,2]=4 1872 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215271 [0,1,0,0,0,0|1,0,2]=4 1873 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100012001163_100011215641 [0,1,0,0,0,0|1,0,2]=4 1874 B14R0.432 CCOC(=O)CCCOCCCC(C)C 34a_100000210774_100009991533 [0,1,0,0,0,0|1,0,1]=3 1875 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100000210774_100011215271 [0,1,0,0,0,0|1,0,1]=3 1876 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100012001163_100011214892 [0,1,0,0,0,0|1,0,1]=3 1877 B14R0.432 CCOC(=O)CCCOCCCC(C)O 7a_100012001163_200000718107 [0,1,0,0,0,0|1,0,1]=3 1878 B14R0.432 CCOC(=O)CCCOCCCN(C)C 7a_100012001163_100000757444 [0,1,0,0,0,0|2,0,1]=4 1879 B14R0.432 CCOC(=O)CCCOCCNC(C)C 34a_100000224655_100009991533 [0,1,0,0,0,0|2,0,1]=4 1880 B14R0.432 CCOC(=O)CCCOCCOC(C)C 34a_100000211219_100009991533 [0,1,0,0,0,0|2,0,1]=4 1881 B14R0.432 CCOC(=O)CCCOCCOC(C)C 7a_100000211219_100011215271 [0,1,0,0,0,0|2,0,1]=4 1882 B14R0.432 CCOC(=O)CCCOCCOC(C)C 7a_100012001163_100000211751 [0,1,0,0,0,0|2,0,1]=4 1883 B14R0.432 CCOC(=O)CCCOCCSC(C)C 34a_200011212901_100009991533 [0,1,0,0,0,0|2,0,1]=4 1884 B14R0.432 CCOC(=O)CCCOCCSC(C)C 7a_100012001163_100000730970 [0,1,0,0,0,0|2,0,1]=4 1885 B14R0.432 CCOC(=O)CCCOCCSC(C)C 7a_200011212901_100011215271 [0,1,0,0,0,0|2,0,1]=4 1886 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100009991533_100011215641 [0,1,0,0,0,0|1,0,2]=4 1887 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100011215641_100009991533 [0,1,0,0,0,0|1,0,2]=4 1888 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100009991533_100011214892 [0,1,0,0,0,0|1,0,1]=3 1889 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100011214892_100009991533 [0,1,0,0,0,0|1,0,1]=3 1890 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_100009991533_200000718107 [0,1,0,0,0,0|1,0,1]=3 1891 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_200000718107_100009991533 [0,1,0,0,0,0|1,0,1]=3 1892 B14R0.432 CCOC(=O)CCCSCCCN(C)C 62a_100009991533_100000757444 [0,1,0,0,0,0|2,0,1]=4 1893 B14R0.432 CCOC(=O)CCCSCCOC(C)C 62a_100000211751_100009991533 [0,1,0,0,0,0|2,0,1]=4 1894 B14R0.432 CCOC(=O)CCCSCCOC(C)C 62a_100009991533_100000211751 [0,1,0,0,0,0|2,0,1]=4 1895 B14R0.432 CCOC(=O)CCCSCCSC(C)C 62a_100000730970_100009991533 [0,1,0,0,0,0|2,0,1]=4 1896 B14R0.432 CCOC(=O)CCCSCCSC(C)C 62a_100009991533_100000730970 [0,1,0,0,0,0|2,0,1]=4 1897 B14R0.432 CCOC(=O)CCNCCCOC(C)C 2230a_100000737246_100011206558 [0,1,0,0,0,0|2,0,1]=4 1898 B14R0.432 CCOC(=O)CCNCCCOC(C)C 34a_100000737246_100000765890 [0,1,0,0,0,0|2,0,1]=4 1899 B14R0.432 CCOC(=O)CCOCCCCC(C)C 34a_100011214890_100000765890 [0,1,0,0,0,0|1,0,1]=3 1900 B14R0.432 CCOC(=O)CCOCCCCC(C)C 7a_100011214890_100011206558 [0,1,0,0,0,0|1,0,1]=3 1901 B14R0.432 CCOC(=O)CCOCCCNC(C)C 34a_100000182298_100000765890 [0,1,0,0,0,0|2,0,1]=4 1902 B14R0.432 CCOC(=O)CCOCCNCC(C)C 34a_100015185251_100000765890 [0,1,0,0,0,0|2,0,1]=4 1903 B14R0.432 CCOC(=O)CCOCCOCC(C)C 34a_100000703358_100000765890 [0,1,0,0,0,0|2,0,1]=4 1904 B14R0.432 CCOC(=O)CCOCCOCC(C)C 7a_100000703358_100011206558 [0,1,0,0,0,0|2,0,1]=4 1905 B14R0.432 CCOC(=O)CCOCCSCC(C)C 34a_200000230437_100000765890 [0,1,0,0,0,0|2,0,1]=4 1906 B14R0.432 CCOC(=O)CCOCCSCC(C)C 7a_200000230437_100011206558 [0,1,0,0,0,0|2,0,1]=4 1907 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000735457_100000765890 [0,1,0,0,0,0|1,0,2]=4 1908 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000765890_100000735457 [0,1,0,0,0,0|1,0,2]=4 1909 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100000765890_100011216152 [0,1,0,0,0,0|1,0,1]=3 1910 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100011216152_100000765890 [0,1,0,0,0,0|1,0,1]=3 1911 B14R0.432 CCOC(=O)CCSCCCCN(C)C 62a_100000765890_100000690147 [0,1,0,0,0,0|2,0,1]=4 1912 B14R0.432 CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000188475 [0,1,0,0,0,0|1,0,2]=4 1913 B14R0.432 CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000188475 [0,1,0,0,0,0|1,0,2]=4 1914 B14R0.432 CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000188475 [0,1,0,0,0,0|1,0,2]=4 1915 B14R0.432 CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000188475 [0,1,0,0,0,0|1,0,2]=4 1916 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000188475_100000210682 [0,1,0,0,0,0|1,0,2]=4 1917 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000188475 [0,1,0,0,0,0|1,0,2]=4 1918 B14R0.432 CCOC(=O)NCCOCCCC(C)C 34a_100000158857_100011214892 [0,1,0,0,0,0|2,0,1]=4 1919 B14R0.432 CCOC(=O)NCCOCCCC(C)C 7a_100000210774_200011445536 [0,1,0,0,0,0|2,0,1]=4 1920 B14R0.432 CCOC(=O)NCCOCCCC(C)O 34a_100000158857_200000718107 [0,1,0,0,0,0|2,0,1]=4 1921 B14R0.432 CCOC(=O)NCCSCCCC(C)C 62a_100011214892_200011445536 [0,1,0,0,0,0|2,0,1]=4 1922 B14R0.432 CCOC(=O)NCCSCCCC(C)O 62a_200000718107_200011445536 [0,1,0,0,0,0|2,0,1]=4 1923 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,1,0,0,0,0|2,0,1]=4 1924 B14R0.493 C#CCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000753159 [0,1,0,0,0,0|1,0,1]=3 1925 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 11a_100000212058_200015255902 [0,1,0,0,0,0|1,0,1]=3 1926 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 1626a_100000212058_200015255902 [0,1,0,0,0,0|1,0,1]=3 1927 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 240690a_100000212058_200015255902 [0,1,0,0,0,0|1,0,1]=3 1928 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 527a_100000212058_200015255902 [0,1,0,0,0,0|1,0,1]=3 1929 B14R0.493 C/C=C/CC(=O)CC/C=C/CCCCC 1458a_200015255902_100102629194 [0,1,0,0,0,0|1,0,1]=3 1930 B14R0.493 C=CCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000754431 [0,1,0,0,0,0|1,0,1]=3 1931 B14R0.493 C=CCNC(=O)CC/C=C/CCCCC 1626a_100020586998_200015255902 [0,1,0,0,0,0|1,0,1]=3 1932 B14R0.493 C=CCNC(=O)CC/C=C/CCCCC 240690a_100020586998_200015255902 [0,1,0,0,0,0|1,0,1]=3 1933 B14R0.493 C=CCNC(=O)CC/C=C/CCCCC 527a_100020586998_200015255902 [0,1,0,0,0,0|1,0,1]=3 1934 B14R0.493 CC#CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000748600 [0,1,0,0,0,0|1,0,1]=3 1935 B14R0.493 CC=CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000070051 [0,1,0,0,0,0|1,0,1]=3 1936 B14R0.493 CCC#CC(=O)CCCCCCCCC 1458a_100011827653_100000210670 [0,1,0,0,0,0|1,0,2]=4 1937 B14R0.493 CCC=CC(=O)CCCCCCCCC 1458a_100000212282_100000210670 [0,1,0,0,0,0|1,0,2]=4 1938 B14R0.493 CCCC/C=C/COCC(=O)OCCC 34a_200016272032_200011215008 [0,1,0,0,0,0|1,0,2]=4 1939 B14R0.493 CCCC/C=C/COCC(=O)OCCC 7a_200016272032_200011215008 [0,1,0,0,0,0|1,0,2]=4 1940 B14R0.493 CCCCC#CCCCC(=O)COCC 1458a_100000211967_200000047210 [0,1,0,0,0,0|0,0,3]=4 1941 B14R0.493 CCCCC/C=C/CCC(=O)CCC#N 1458a_200015255902_100011215226 [0,1,0,0,0,0|1,0,1]=3 1942 B14R0.493 CCCCC/C=C/CCC(=O)CCCC 1458a_200015255902_100000210211 [0,1,0,0,0,0|1,0,0]=2 1943 B14R0.493 CCCCC/C=C/CCC(=O)CCCF 1458a_200015255902_100011934791 [0,1,0,0,0,0|1,0,0]=2 1944 B14R0.493 CCCCC/C=C/CCC(=O)CCCO 1458a_200015255902_100011215043 [0,1,0,0,0,0|1,0,0]=2 1945 B14R0.493 CCCCC/C=C/CCC(=O)CCOC 1458a_200015255902_100000233755 [0,1,0,0,0,0|1,0,0]=2 1946 B14R0.493 CCCCC/C=C/CCC(=O)CCSC 1458a_200015255902_100000751147 [0,1,0,0,0,0|1,0,0]=2 1947 B14R0.493 CCCCC/C=C/CCC(=O)NCC#N 1626a_100000734998_200015255902 [0,1,0,0,0,0|1,0,1]=3 1948 B14R0.493 CCCCC/C=C/CCC(=O)NCC#N 527a_100000734998_200015255902 [0,1,0,0,0,0|1,0,1]=3 1949 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 11a_100020643023_200015255902 [0,1,0,0,0,0|1,0,0]=2 1950 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 1626a_100020643023_200015255902 [0,1,0,0,0,0|1,0,0]=2 1951 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 240690a_100020643023_200015255902 [0,1,0,0,0,0|1,0,0]=2 1952 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 527a_100020643023_200015255902 [0,1,0,0,0,0|1,0,0]=2 1953 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 11a_100000724931_200015255902 [0,1,0,0,0,0|1,0,0]=2 1954 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 1626a_100000724931_200015255902 [0,1,0,0,0,0|1,0,0]=2 1955 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 240690a_100000724931_200015255902 [0,1,0,0,0,0|1,0,0]=2 1956 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 527a_100000724931_200015255902 [0,1,0,0,0,0|1,0,0]=2 1957 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 240690a_100000210304_200015255902 [0,1,0,0,0,0|1,0,0]=2 1958 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 527a_100000210304_200015255902 [0,1,0,0,0,0|1,0,0]=2 1959 B14R0.493 CCCCC/C=C/CCC(=O)NNCC 22a_100000756455_200015255902 [0,1,0,0,0,0|1,0,0]=2 1960 B14R0.493 CCCCC=CC=NNC(=O)COCC 4a_100000216846_100016268198 [0,1,0,0,0,0|2,0,1]=4 1961 B14R0.493 CCCCCC/C=C/CC(=O)CCCC 1458a_100020681715_100000210211 [0,1,0,0,0,0|1,0,2]=4 1962 B14R0.493 CCCCCC/C=C/CC(=O)CCCF 1458a_100020681715_100011934791 [0,1,0,0,0,0|1,0,2]=4 1963 B14R0.493 CCCCCC/C=C/CC(=O)CCCO 1458a_100020681715_100011215043 [0,1,0,0,0,0|1,0,2]=4 1964 B14R0.493 CCCCCC/C=C/CC(=O)CCOC 1458a_100020681715_100000233755 [0,1,0,0,0,0|1,0,2]=4 1965 B14R0.493 CCCCCC/C=C/CC(=O)CCSC 1458a_100020681715_100000751147 [0,1,0,0,0,0|1,0,2]=4 1966 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 1967 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 1968 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 1969 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 1970 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 1971 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 1972 B14R0.493 CCCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020681715 [0,1,0,0,0,0|1,0,2]=4 1973 B14R0.493 CCCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020681715 [0,1,0,0,0,0|1,0,2]=4 1974 B14R0.493 CCCCCCC=NNC(=O)COCC 4a_100000216846_100000234349 [0,1,0,0,0,0|2,0,1]=4 1975 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,1,0,0,0,0|1,0,2]=4 1976 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,1,0,0,0,0|1,0,2]=4 1977 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,1,0,0,0,0|1,0,2]=4 1978 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,1,0,0,0,0|1,0,2]=4 1979 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,1,0,0,0,0|1,0,2]=4 1980 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,1,0,0,0,0|1,0,2]=4 1981 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,1,0,0,0,0|1,0,2]=4 1982 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,1,0,0,0,0|1,0,2]=4 1983 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,1,0,0,0,0|0,0,2]=3 1984 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [0,1,0,0,0,0|0,1,2]=4 1985 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 1986 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 1987 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 1988 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 1989 B14R0.493 CCCCCCCCCC(=O)NCCF 11a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 1990 B14R0.493 CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 1991 B14R0.493 CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 1992 B14R0.493 CCCCCCCCCC(=O)NCCF 527a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 1993 B14R0.493 CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210558 [0,1,0,0,0,0|1,0,2]=4 1994 B14R0.493 CCCCCCCCCC(=O)NCCO 527a_100000210304_100000210558 [0,1,0,0,0,0|1,0,2]=4 1995 B14R0.493 CCCCCCCCCC(=O)NNCC 22a_100000756455_100000210558 [0,1,0,0,0,0|1,0,2]=4 1996 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,1,0,0,0,0|0,0,2]=3 1997 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,1,0,0,0,0|0,0,2]=3 1998 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,1,0,0,0,0|0,0,2]=3 1999 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,1,0,0,0,0|0,0,2]=3 2000 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,1,0,0,0,0|0,0,2]=3 2001 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,1,0,0,0,0|0,0,2]=3 2002 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,1,0,0,0,0|1,0,2]=4 2003 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,1,0,0,0,0|1,0,2]=4 2004 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,1,0,0,0,0|1,0,2]=4 2005 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,1,0,0,0,0|1,0,2]=4 2006 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,1,0,0,0,0|1,0,2]=4 2007 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,1,0,0,0,0|1,0,2]=4 2008 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,1,0,0,0,0|1,0,2]=4 2009 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,1,0,0,0,0|1,0,2]=4 2010 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,1,0,0,0,0|1,0,2]=4 2011 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,1,0,0,0,0|2,0,1]=4 2012 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,1,0,0,0,0|2,0,1]=4 2013 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,1,0,0,0,0|2,0,1]=4 2014 B14R0.493 CCCCCNCCCC(=O)NCCC 2230a_100000209983_100011194427 [0,1,0,0,0,0|2,0,1]=4 2015 B14R0.493 CCCCCOCCCC(=O)NCCC 7a_100000210253_100011194427 [0,1,0,0,0,0|2,0,1]=4 2016 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100000210326_100011194427 [0,1,0,0,0,0|2,0,1]=4 2017 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100011194427_100000210326 [0,1,0,0,0,0|2,0,1]=4 2018 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,1,0,0,0,0|1,0,2]=4 2019 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000731252 [0,1,0,0,0,0|0,0,3]=4 2020 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000690238_100011215271 [0,1,0,0,0,0|0,0,3]=4 2021 B14R0.2432 C#CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000690238 [0,1,0,0,0,0|1,0,2]=4 2022 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000757094 [0,1,0,0,0,0|0,0,3]=4 2023 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000766728_100011215271 [0,1,0,0,0,0|0,0,3]=4 2024 B14R0.2432 C=CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000766728 [0,1,0,0,0,0|1,0,2]=4 2025 B14R0.2432 CC/C=C/CC(=O)CCCC(=O)OCC 1458a_100016274230_100011215271 [0,1,0,0,0,0|0,0,3]=4 2026 B14R0.2432 CC/C=C/CC(=O)NCCC(=O)OCC 188690a_100000746078_100016274230 [0,1,0,0,0,0|1,0,2]=4 2027 B14R0.2432 CC/C=C\CC(=O)CCCC(=O)OCC 1458a_100000210991_100103147603 [0,1,0,0,0,0|0,0,3]=4 2028 B14R0.2432 CCC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100009813939 [0,1,0,0,0,0|0,0,3]=4 2029 B14R0.2432 CCCC#CC(=O)CCCC(=O)OCC 1458a_200011218047_100011215271 [0,1,0,0,0,0|0,0,3]=4 2030 B14R0.2432 CCCC=CC(=O)CCCC(=O)OCC 1458a_100000212230_100011215271 [0,1,0,0,0,0|0,0,3]=4 2031 B14R0.2432 CCCC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000212230 [0,1,0,0,0,0|1,0,2]=4 2032 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,1,0,0,0,0|1,0,1]=3 2033 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,1,0,0,0,0|0,0,1]=2 2034 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,1,0,0,0,0|0,0,1]=2 2035 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,1,0,0,0,0|1,0,1]=3 2036 B14R0.2432 CCCCCC(=O)CNCC(=O)NCC 2230a_100016988866_200012276598 [0,1,0,0,0,0|2,0,1]=4 2037 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_100000747444_200012276598 [0,1,0,0,0,0|2,0,1]=4 2038 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_200012276598_100000747444 [0,1,0,0,0,0|2,0,1]=4 2039 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_100000183381_200012276598 [0,1,0,0,0,0|2,0,1]=4 2040 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_200012276598_100000183381 [0,1,0,0,0,0|2,0,1]=4 2041 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,1,0,0,0,0|1,0,1]=3 2042 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,1,0,0,0,0|1,0,1]=3 2043 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000212188 [0,1,0,0,0,0|2,0,0]=3 2044 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000212188 [0,1,0,0,0,0|2,0,0]=3 2045 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000212188 [0,1,0,0,0,0|2,0,0]=3 2046 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000212188 [0,1,0,0,0,0|2,0,0]=3 2047 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,1,0,0,0,0|1,0,0]=2 2048 B14R0.2432 CCCCCC(=O)NN=CC(=O)OCC 4a_100000189784_100000742314 [0,1,0,0,0,0|2,0,1]=4 2049 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 2230a_100000211957_100000737597 [0,1,0,0,0,0|2,0,1]=4 2050 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211708 [0,1,0,0,0,0|2,0,1]=4 2051 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 34a_100025743525_200011218191 [0,1,0,0,0,0|2,0,1]=4 2052 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,1,0,0,0,0|1,0,1]=3 2053 B14R0.2432 CCCCCC(C)OCCC(=O)NCC 7a_100011215632_100000737597 [0,1,0,0,0,0|2,0,1]=4 2054 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,1,0,0,0,0|1,0,1]=3 2055 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,1,0,0,0,0|1,0,1]=3 2056 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_100000737597_200011218191 [0,1,0,0,0,0|2,0,1]=4 2057 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_200011218191_100000737597 [0,1,0,0,0,0|2,0,1]=4 2058 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,1,0,0,0,0|1,0,1]=3 2059 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,1,0,0,0,0|1,0,1]=3 2060 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,1,0,0,0,0|2,0,1]=4 2061 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,1,0,0,0,0|1,0,2]=4 2062 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,1,0,0,0,0|1,0,2]=4 2063 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,1,0,0,0,0|1,0,1]=3 2064 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,1,0,0,0,0|1,0,1]=3 2065 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,1,0,0,0,0|2,0,1]=4 2066 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 11a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 2067 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 1626a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 2068 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 240690a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 2069 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 527a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 2070 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 11a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 2071 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 1626a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 2072 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 240690a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 2073 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 527a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 2074 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000182744_100000188475 [0,1,0,0,0,0|2,0,1]=4 2075 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000182744 [0,1,0,0,0,0|2,0,1]=4 2076 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 2708a_100000102301_100025743525 [0,1,0,0,0,0|3,0,0]=4 2077 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 273464a_100000102301_100025743525 [0,1,0,0,0,0|3,0,0]=4 2078 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100000102301 [0,1,0,0,0,0|3,0,0]=4 2079 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 512a_100000102301_100025743525 [0,1,0,0,0,0|3,0,0]=4 2080 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 512a_100025743525_100000102301 [0,1,0,0,0,0|3,0,0]=4 2081 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000188475_100000211628 [0,1,0,0,0,0|2,0,1]=4 2082 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000211628_100000188475 [0,1,0,0,0,0|2,0,1]=4 2083 B14R0.2432 CCCNN=C(C)CCCC(=O)OCC 4a_100000740057_100000032325 [0,1,0,0,0,0|2,0,1]=4 2084 B14R0.2432 CCCNNC(=O)CCCC(=O)OCC 22a_100000740057_100000210991 [0,1,0,0,0,0|2,0,1]=4 2085 B14R0.2432 CCCOCC(=O)CCCC(=O)OCC 1458a_100000745993_100011215271 [0,1,0,0,0,0|1,0,1]=3 2086 B14R0.2432 CCCOCC(=O)CCNC(=O)OCC 1458a_100000745993_200011445536 [0,1,0,0,0,0|2,0,1]=4 2087 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 11a_100025743525_100000745993 [0,1,0,0,0,0|3,0,0]=4 2088 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 1626a_100025743525_100000745993 [0,1,0,0,0,0|3,0,0]=4 2089 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 240690a_100025743525_100000745993 [0,1,0,0,0,0|3,0,0]=4 2090 B14R0.2432 CCCOCC(=O)NCCC(=O)NCC 527a_100025743525_100000745993 [0,1,0,0,0,0|3,0,0]=4 2091 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000745993 [0,1,0,0,0,0|2,0,0]=3 2092 B14R0.2432 CCCSCC(=O)CCCC(=O)OCC 1458a_100000217233_100011215271 [0,1,0,0,0,0|1,0,1]=3 2093 B14R0.2432 CCCSCC(=O)CCNC(=O)OCC 1458a_100000217233_200011445536 [0,1,0,0,0,0|2,0,1]=4 2094 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 11a_100025743525_100000217233 [0,1,0,0,0,0|3,0,0]=4 2095 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 1626a_100025743525_100000217233 [0,1,0,0,0,0|3,0,0]=4 2096 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 240690a_100025743525_100000217233 [0,1,0,0,0,0|3,0,0]=4 2097 B14R0.2432 CCCSCC(=O)NCCC(=O)NCC 527a_100025743525_100000217233 [0,1,0,0,0,0|3,0,0]=4 2098 B14R0.2432 CCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000217233 [0,1,0,0,0,0|2,0,0]=3 2099 B14R0.2432 CCNC(=O)CCCC(=O)CCCCF 1458a_100000199580_100000729493 [0,1,0,0,0,0|2,0,1]=4 2100 B14R0.2432 CCNC(=O)CCCC(=O)CCCCO 1458a_100000199580_100000210776 [0,1,0,0,0,0|2,0,1]=4 2101 B14R0.2432 CCNC(=O)CCCC(=O)CCCOC 1458a_100000199580_100000740836 [0,1,0,0,0,0|2,0,1]=4 2102 B14R0.2432 CCNC(=O)CCCC(=O)CCOCC 1458a_100000199580_100011215890 [0,1,0,0,0,0|2,0,1]=4 2103 B14R0.2432 CCNC(=O)CCCC(=O)CCSCC 1458a_100000199580_100000757381 [0,1,0,0,0,0|2,0,1]=4 2104 B14R0.2432 CCNC(=O)CCNC(=O)CCCCO 1626a_100025743525_100000695505 [0,1,0,0,0,0|3,0,0]=4 2105 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 11a_100025743525_100000741012 [0,1,0,0,0,0|3,0,0]=4 2106 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 1626a_100025743525_100000741012 [0,1,0,0,0,0|3,0,0]=4 2107 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 240690a_100025743525_100000741012 [0,1,0,0,0,0|3,0,0]=4 2108 B14R0.2432 CCNC(=O)CCNC(=O)CCCOC 527a_100025743525_100000741012 [0,1,0,0,0,0|3,0,0]=4 2109 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 11a_100025743525_100000173376 [0,1,0,0,0,0|3,0,0]=4 2110 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 1626a_100025743525_100000173376 [0,1,0,0,0,0|3,0,0]=4 2111 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 240690a_100025743525_100000173376 [0,1,0,0,0,0|3,0,0]=4 2112 B14R0.2432 CCNC(=O)CCNC(=O)CCCSC 527a_100025743525_100000173376 [0,1,0,0,0,0|3,0,0]=4 2113 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 11a_100025743525_100000749530 [0,1,0,0,0,0|3,0,0]=4 2114 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 1626a_100025743525_100000749530 [0,1,0,0,0,0|3,0,0]=4 2115 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 240690a_100025743525_100000749530 [0,1,0,0,0,0|3,0,0]=4 2116 B14R0.2432 CCNC(=O)CCNC(=O)CCOCC 527a_100025743525_100000749530 [0,1,0,0,0,0|3,0,0]=4 2117 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 11a_100025743525_100000230768 [0,1,0,0,0,0|3,0,0]=4 2118 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 1626a_100025743525_100000230768 [0,1,0,0,0,0|3,0,0]=4 2119 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 240690a_100025743525_100000230768 [0,1,0,0,0,0|3,0,0]=4 2120 B14R0.2432 CCNC(=O)CCNC(=O)CCSCC 527a_100025743525_100000230768 [0,1,0,0,0,0|3,0,0]=4 2121 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215271 [0,1,0,0,0,0|1,0,2]=4 2122 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000210991_100000211468 [0,1,0,0,0,0|1,0,2]=4 2123 B14R0.2432 CCOC(=O)CCCC(=O)CCCCF 1458a_100000210991_100000729493 [0,1,0,0,0,0|1,0,1]=3 2124 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000210991_100000210776 [0,1,0,0,0,0|1,0,1]=3 2125 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215271 [0,1,0,0,0,0|1,0,1]=3 2126 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000210991_100000740836 [0,1,0,0,0,0|1,0,1]=3 2127 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000741012_100011215271 [0,1,0,0,0,0|1,0,1]=3 2128 B14R0.2432 CCOC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011215271 [0,1,0,0,0,0|1,0,1]=3 2129 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000210991_100000757381 [0,1,0,0,0,0|1,0,1]=3 2130 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000230768_100011215271 [0,1,0,0,0,0|1,0,1]=3 2131 B14R0.2432 CCOC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215271 [0,1,0,0,0,0|2,0,1]=4 2132 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 11a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 2133 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 2134 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 2135 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 527a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 2136 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000210991 [0,1,0,0,0,0|2,0,1]=4 2137 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 527a_100000182051_100000210991 [0,1,0,0,0,0|2,0,1]=4 2138 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 1626a_100000209980_100000210991 [0,1,0,0,0,0|2,0,1]=4 2139 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 240690a_100000209980_100000210991 [0,1,0,0,0,0|2,0,1]=4 2140 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 527a_100000209980_100000210991 [0,1,0,0,0,0|2,0,1]=4 2141 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 11a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 2142 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 2143 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 2144 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 527a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 2145 B14R0.2432 CCOC(=O)CCCN(C)CCCCO 2230a_100000717598_100009991533 [0,1,0,0,0,0|2,0,1]=4 2146 B14R0.2432 CCOC(=O)CCCN(C)CCCCO 269982a_100000717598_100009991533 [0,1,0,0,0,0|2,0,1]=4 2147 B14R0.2432 CCOC(=O)CCCN(C)CCCOC 2230a_100000224831_100009991533 [0,1,0,0,0,0|2,0,1]=4 2148 B14R0.2432 CCOC(=O)CCCN(C)CCCOC 269982a_100000224831_100009991533 [0,1,0,0,0,0|2,0,1]=4 2149 B14R0.2432 CCOC(=O)CCNC(=O)CCCCO 188690a_100000746078_100000695505 [0,1,0,0,0,0|2,0,0]=3 2150 B14R0.2432 CCOC(=O)CCNC(=O)CCCOC 188690a_100000746078_100000741012 [0,1,0,0,0,0|2,0,0]=3 2151 B14R0.2432 CCOC(=O)CCNC(=O)CCCSC 188690a_100000746078_100000173376 [0,1,0,0,0,0|2,0,0]=3 2152 B14R0.2432 CCOC(=O)CCNC(=O)CCSCC 188690a_100000746078_100000230768 [0,1,0,0,0,0|2,0,0]=3 2153 B14R0.2432 CCOC(=O)CCNC(=O)COCCO 188690a_100000746078_100000708028 [0,1,0,0,0,0|3,0,0]=4 2154 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 34a_200011539412_100000765890 [0,1,0,0,0,0|2,0,1]=4 2155 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 7a_200011539412_100011206558 [0,1,0,0,0,0|2,0,1]=4 2156 B14R0.2432 CCOC(=O)NCCC(=O)CCCCO 1458a_100000695505_200011445536 [0,1,0,0,0,0|2,0,1]=4 2157 B14R0.2432 CCOC(=O)NCCC(=O)CCCOC 1458a_100000741012_200011445536 [0,1,0,0,0,0|2,0,1]=4 2158 B14R0.2432 CCOC(=O)NCCC(=O)CCCSC 1458a_100000173376_200011445536 [0,1,0,0,0,0|2,0,1]=4 2159 B14R0.2432 CCOC(=O)NCCC(=O)CCSCC 1458a_100000230768_200011445536 [0,1,0,0,0,0|2,0,1]=4 2160 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215890 [0,1,0,0,0,0|1,0,1]=3 2161 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000749530_100011215271 [0,1,0,0,0,0|1,0,1]=3 2162 B14R0.2432 CCOCCC(=O)CCNC(=O)OCC 1458a_100000749530_200011445536 [0,1,0,0,0,0|2,0,1]=4 2163 B14R0.2432 CCOCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749530 [0,1,0,0,0,0|2,0,0]=3 2164 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|1,0,2]=4 2165 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,1,0,0|2,0,1]=4 2166 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,1,0,0|2,0,1]=4 2167 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,1,0,0|2,0,1]=4 2168 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,1,0,0|2,0,1]=4 2169 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,1,0,0|2,0,1]=4 2170 B14R1.216 CCCC/C=C/COC1CCOC1=O 34a_200016272032_100000211211 [0,0,0,1,0,0|1,0,2]=4 2171 B14R1.216 CCCC/C=C/COC1CCOC1=O 7a_200016272032_100000211211 [0,0,0,1,0,0|1,0,2]=4 2172 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,0,0,1,0,0|1,0,2]=4 2173 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,0,0,1,0,0|1,0,2]=4 2174 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,0,0,1,0,0|1,0,2]=4 2175 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,0,0,1,0,0|1,0,2]=4 2176 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,0,0,1,0,0|1,0,2]=4 2177 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,0,0,1,0,0|2,0,1]=4 2178 B14R1.219 CCCCNN=C1C=C(CC1)OCC 4a_100025702795_100000036251 [0,0,0,1,0,0|3,0,0]=4 2179 B14R1.257 CCOC(=O)CCN1CCC1COC 2230a_100015195929_100011206558 [0,0,0,1,0,0|2,0,1]=4 2180 B14R1.257 CCOC(=O)CCN1CCC1COC 269982a_100015195929_100011206558 [0,0,0,1,0,0|2,0,1]=4 2181 B14R1.257 CCOC(=O)CCN1CCC1COC 34a_100015195929_100000765890 [0,0,0,1,0,0|2,0,1]=4 2182 B14R1.263 CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210303 [0,0,0,1,0,0|1,0,2]=4 2183 B14R1.263 CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210303 [0,0,0,1,0,0|1,0,2]=4 2184 B14R1.263 CCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210303 [0,0,0,1,0,0|2,0,1]=4 2185 B14R1.263 CCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210303 [0,0,0,1,0,0|2,0,1]=4 2186 B14R1.263 CCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210303 [0,0,0,1,0,0|2,0,1]=4 2187 B14R1.263 CCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210303 [0,0,0,1,0,0|2,0,1]=4 2188 B14R1.263 CCOC(=O)C1CCCCC1OCC 7a_100000038711_100000210202 [0,0,0,1,0,0|1,0,2]=4 2189 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210303 [0,0,0,1,0,0|1,0,2]=4 2190 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211992_100011713725 [0,0,0,1,0,0|1,0,2]=4 2191 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000211992_100000690320 [0,0,0,1,0,0|2,0,1]=4 2192 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210303 [0,0,0,1,0,0|2,0,1]=4 2193 B14R1.520 CCCC(=O)CCOC1CCCCC1 1458a_100000211992_100011211530 [0,0,0,1,0,0|2,0,1]=4 2194 B14R1.520 CCNC(=O)CCCC1CCCCC1 11a_100015525214_100000211478 [0,0,0,1,0,0|1,0,2]=4 2195 B14R1.520 CCNC(=O)CCCC1CCCCC1 240690a_100015525214_100000211478 [0,0,0,1,0,0|1,0,2]=4 2196 B14R1.520 CCNC(=O)CCCC1CCCCC1 527a_100015525214_100000211478 [0,0,0,1,0,0|1,0,2]=4 2197 B14R1.520 CCNC(=O)CCCN1CCCCC1 240690a_100015525214_100000742516 [0,0,0,1,0,0|2,0,1]=4 2198 B14R1.520 CCNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737597 [0,0,0,1,0,0|2,0,1]=4 2199 B14R1.520 CCNC(=O)CCNC1CCCCC1 270004a_100025743525_100000210434 [0,0,0,1,0,0|2,0,1]=4 2200 B14R1.520 CCNC(=O)CCNC1CCCCC1 34a_100025743525_100000210327 [0,0,0,1,0,0|2,0,1]=4 2201 B14R1.520 CCNC(=O)CCOC1CCCCC1 7a_100000210231_100000737597 [0,0,0,1,0,0|2,0,1]=4 2202 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000210327_100000737597 [0,0,0,1,0,0|2,0,1]=4 2203 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000737597_100000210327 [0,0,0,1,0,0|2,0,1]=4 2204 B14R1.520 CCOC(=O)CCCN1CCCOC1 2230a_100000131196_100009991533 [0,0,0,1,0,0|2,0,1]=4 2205 B14R1.520 CCOC(=O)CCCN1CCCOC1 269982a_100000131196_100009991533 [0,0,0,1,0,0|2,0,1]=4 2206 B14R1.520 CCOC(=O)CCCN1CCCOC1 34a_100000131196_100009991533 [0,0,0,1,0,0|2,0,1]=4 2207 B14R1.520 CCOC(=O)CCCN1CCOCC1 2230a_100015191051_100009991533 [0,0,0,1,0,0|2,0,1]=4 2208 B14R1.520 CCOC(=O)CCCN1CCOCC1 269982a_100015191051_100009991533 [0,0,0,1,0,0|2,0,1]=4 2209 B14R1.520 CCOC(=O)CCCN1CCOCC1 34a_100015191051_100009991533 [0,0,0,1,0,0|2,0,1]=4 2210 B14R1.520 CCOC(=O)CCCN1CCSCC1 2230a_100000737611_100009991533 [0,0,0,1,0,0|2,0,1]=4 2211 B14R1.520 CCOC(=O)CCCN1CCSCC1 269982a_100000737611_100009991533 [0,0,0,1,0,0|2,0,1]=4 2212 B14R1.520 CCOC(=O)CCNC1CCCCC1 2230a_100000182618_100011206558 [0,0,0,1,0,0|1,0,1]=3 2213 B14R1.520 CCOC(=O)CCNC1CCCCC1 34a_100000182618_100000765890 [0,0,0,1,0,0|1,0,1]=3 2214 B14R1.520 CCOC(=O)CCNC1CCCOC1 2230a_100000719290_100011206558 [0,0,0,1,0,0|2,0,1]=4 2215 B14R1.520 CCOC(=O)CCNC1CCCOC1 34a_100000719290_100000765890 [0,0,0,1,0,0|2,0,1]=4 2216 B14R1.520 CCOC(=O)CCNC1CCOCC1 2230a_100000741149_100011206558 [0,0,0,1,0,0|2,0,1]=4 2217 B14R1.520 CCOC(=O)CCNC1CCOCC1 34a_100000741149_100000765890 [0,0,0,1,0,0|2,0,1]=4 2218 B14R1.520 CCOC(=O)CCNC1CCSCC1 2230a_100000748639_100011206558 [0,0,0,1,0,0|2,0,1]=4 2219 B14R1.520 CCOC(=O)CCNC1CCSCC1 34a_100000748639_100000765890 [0,0,0,1,0,0|2,0,1]=4 2220 B14R1.520 CCOC(=O)CCOC1CCCCC1 34a_100000210231_100000765890 [0,0,0,1,0,0|1,0,1]=3 2221 B14R1.520 CCOC(=O)CCOC1CCCCC1 7a_100000210231_100011206558 [0,0,0,1,0,0|1,0,1]=3 2222 B14R1.520 CCOC(=O)CCOC1CCCCO1 34a_100000033831_100000765890 [0,0,0,1,0,0|2,0,1]=4 2223 B14R1.520 CCOC(=O)CCOC1CCCOC1 34a_100000754041_100000765890 [0,0,0,1,0,0|2,0,1]=4 2224 B14R1.520 CCOC(=O)CCOC1CCCSC1 7a_100015962668_100011206558 [0,0,0,1,0,0|2,0,1]=4 2225 B14R1.520 CCOC(=O)CCOC1CCOCC1 34a_100000744328_100000765890 [0,0,0,1,0,0|2,0,1]=4 2226 B14R1.520 CCOC(=O)CCOC1CCSCC1 34a_100000731022_100000765890 [0,0,0,1,0,0|2,0,1]=4 2227 B14R1.520 CCOC(=O)CCOC1CCSCC1 7a_100000731022_100011206558 [0,0,0,1,0,0|2,0,1]=4 2228 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000210327_100000765890 [0,0,0,1,0,0|1,0,1]=3 2229 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000765890_100000210327 [0,0,0,1,0,0|1,0,1]=3 2230 B14R1.520 CCOC(=O)CCSC1CCCOC1 62a_100000765890_100000693364 [0,0,0,1,0,0|2,0,1]=4 2231 B14R1.520 CCOC(=O)CCSC1CCOCC1 62a_100000765890_100011324220 [0,0,0,1,0,0|2,0,1]=4 2232 B14R1.520 CCOC(=O)CCSC1CCSCC1 62a_100000765890_100000069128 [0,0,0,1,0,0|2,0,1]=4 2233 B14R1.520 CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000188475 [0,0,0,1,0,0|1,0,2]=4 2234 B14R1.520 CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000188475 [0,0,0,1,0,0|1,0,2]=4 2235 B14R1.520 CCOC(=O)COCC1CCCCC1 34a_100000212181_100000188475 [0,0,0,1,0,0|1,0,2]=4 2236 B14R1.520 CCOC(=O)COCC1CCCCC1 7a_100000212181_100000188475 [0,0,0,1,0,0|1,0,2]=4 2237 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000188475_100000211423 [0,0,0,1,0,0|1,0,2]=4 2238 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000188475 [0,0,0,1,0,0|1,0,2]=4 2239 B14R1.520 CCOC(=O)OCSC1CCCCC1 62a_100000210327_100000075025 [0,0,0,1,0,0|2,0,1]=4 2240 B14R1.598 CCNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737597 [0,0,0,1,0,0|2,0,1]=4 2241 B14R1.598 CCNC(=O)CCN1CCCCC1C 240690a_100015525214_100000727554 [0,0,0,1,0,0|2,0,1]=4 2242 B14R1.598 CCNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737597 [0,0,0,1,0,0|2,0,1]=4 2243 B14R1.598 CCOC(=O)CCN1CCCCC1C 2230a_100000211376_100011206558 [0,0,0,1,0,0|1,0,1]=3 2244 B14R1.598 CCOC(=O)CCN1CCCCC1C 269982a_100000211376_100011206558 [0,0,0,1,0,0|1,0,1]=3 2245 B14R1.598 CCOC(=O)CCN1CCCCC1C 34a_100000211376_100000765890 [0,0,0,1,0,0|1,0,1]=3 2246 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100011206558 [0,0,0,1,0,0|2,0,1]=4 2247 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100011206558 [0,0,0,1,0,0|2,0,1]=4 2248 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000765890 [0,0,0,1,0,0|2,0,1]=4 2249 B14R1.598 CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000188475 [0,0,0,1,0,0|1,0,2]=4 2250 B14R1.598 CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000188475 [0,0,0,1,0,0|1,0,2]=4 2251 B14R1.598 CCOC(=O)COC1CCCCC1C 34a_100000211207_100000188475 [0,0,0,1,0,0|1,0,2]=4 2252 B14R1.598 CCOC(=O)COC1CCCCC1C 7a_100000211207_100000188475 [0,0,0,1,0,0|1,0,2]=4 2253 B14R1.609 CCNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737597 [0,0,0,1,0,0|2,0,1]=4 2254 B14R1.609 CCNC(=O)CCNCC1CCCC1 269862a_100025743525_100000746403 [0,0,0,1,0,0|2,0,1]=4 2255 B14R1.609 CCNC(=O)CCNCC1CCCC1 34a_100025743525_100000740388 [0,0,0,1,0,0|2,0,1]=4 2256 B14R1.609 CCNC(=O)CCOCC1CCCC1 7a_100000742336_100000737597 [0,0,0,1,0,0|2,0,1]=4 2257 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000737597_100000740388 [0,0,0,1,0,0|2,0,1]=4 2258 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000740388_100000737597 [0,0,0,1,0,0|2,0,1]=4 2259 B14R1.609 CCOC(=O)CCCCN1CCCC1 2230a_100000188435_100000750268 [0,0,0,1,0,0|1,0,2]=4 2260 B14R1.609 CCOC(=O)CCCCN1CCCC1 269982a_100000188435_100000750268 [0,0,0,1,0,0|1,0,2]=4 2261 B14R1.609 CCOC(=O)CCCNC1CCCC1 2230a_100000211070_100009991533 [0,0,0,1,0,0|1,0,1]=3 2262 B14R1.609 CCOC(=O)CCCNC1CCCC1 34a_100000211070_100009991533 [0,0,0,1,0,0|1,0,1]=3 2263 B14R1.609 CCOC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100009991533 [0,0,0,1,0,0|2,0,1]=4 2264 B14R1.609 CCOC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100009991533 [0,0,0,1,0,0|2,0,1]=4 2265 B14R1.609 CCOC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100009991533 [0,0,0,1,0,0|2,0,1]=4 2266 B14R1.609 CCOC(=O)CCCOC1CCCC1 34a_100000210269_100009991533 [0,0,0,1,0,0|1,0,1]=3 2267 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100000210269_100011215271 [0,0,0,1,0,0|1,0,1]=3 2268 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100012001163_100000179811 [0,0,0,1,0,0|1,0,1]=3 2269 B14R1.609 CCOC(=O)CCCOC1CCCO1 34a_100000085407_100009991533 [0,0,0,1,0,0|2,0,1]=4 2270 B14R1.609 CCOC(=O)CCCOC1CCOC1 7a_100012001163_100000731011 [0,0,0,1,0,0|2,0,1]=4 2271 B14R1.609 CCOC(=O)CCCOC1CCSC1 7a_100011232664_100011215271 [0,0,0,1,0,0|2,0,1]=4 2272 B14R1.609 CCOC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100009991533 [0,0,0,1,0,0|2,0,1]=4 2273 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100009991533_100000179811 [0,0,0,1,0,0|1,0,1]=3 2274 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100011217020_100009991533 [0,0,0,1,0,0|1,0,1]=3 2275 B14R1.609 CCOC(=O)CCCSC1CCOC1 62a_100009991533_100000690089 [0,0,0,1,0,0|2,0,1]=4 2276 B14R1.609 CCOC(=O)CCNCC1CCCC1 2230a_100000737975_100011206558 [0,0,0,1,0,0|1,0,1]=3 2277 B14R1.609 CCOC(=O)CCNCC1CCCC1 34a_100000737975_100000765890 [0,0,0,1,0,0|1,0,1]=3 2278 B14R1.609 CCOC(=O)CCNCC1CCOC1 2230a_100000737293_100011206558 [0,0,0,1,0,0|2,0,1]=4 2279 B14R1.609 CCOC(=O)CCNCC1CCOC1 34a_100000737293_100000765890 [0,0,0,1,0,0|2,0,1]=4 2280 B14R1.609 CCOC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100011206558 [0,0,0,1,0,0|2,0,1]=4 2281 B14R1.609 CCOC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000765890 [0,0,0,1,0,0|2,0,1]=4 2282 B14R1.609 CCOC(=O)CCOCC1CCCC1 34a_100000742336_100000765890 [0,0,0,1,0,0|1,0,1]=3 2283 B14R1.609 CCOC(=O)CCOCC1CCCC1 7a_100000742336_100011206558 [0,0,0,1,0,0|1,0,1]=3 2284 B14R1.609 CCOC(=O)CCOCC1CCCO1 34a_100000210270_100000765890 [0,0,0,1,0,0|2,0,1]=4 2285 B14R1.609 CCOC(=O)CCOCC1CCCO1 7a_100000210270_100011206558 [0,0,0,1,0,0|2,0,1]=4 2286 B14R1.609 CCOC(=O)CCOCC1CCNC1 34a_100000748654_100000765890 [0,0,0,1,0,0|2,0,1]=4 2287 B14R1.609 CCOC(=O)CCOCC1CCOC1 34a_100000740260_100000765890 [0,0,0,1,0,0|2,0,1]=4 2288 B14R1.609 CCOC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000765890 [0,0,0,1,0,0|2,0,1]=4 2289 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000740388_100000765890 [0,0,0,1,0,0|1,0,1]=3 2290 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000765890_100000740388 [0,0,0,1,0,0|1,0,1]=3 2291 B14R1.609 CCOC(=O)CCSCC1CCCO1 62a_100000203698_100000765890 [0,0,0,1,0,0|2,0,1]=4 2292 B14R1.609 CCOC(=O)CCSCC1CCCO1 62a_100000765890_100000203698 [0,0,0,1,0,0|2,0,1]=4 2293 B14R1.609 CCOC(=O)CCSCC1CCOC1 62a_100000702531_100000765890 [0,0,0,1,0,0|2,0,1]=4 2294 B14R1.609 CCOC(=O)CCSCC1CCOC1 62a_100000765890_100000702531 [0,0,0,1,0,0|2,0,1]=4 2295 B14R1.609 CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000188475 [0,0,0,1,0,0|1,0,2]=4 2296 B14R1.609 CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000188475 [0,0,0,1,0,0|1,0,2]=4 2297 B14R1.609 CCOC(=O)COCCC1CCCC1 34a_100000749090_100000188475 [0,0,0,1,0,0|1,0,2]=4 2298 B14R1.609 CCOC(=O)COCCC1CCCC1 7a_100000749090_100000188475 [0,0,0,1,0,0|1,0,2]=4 2299 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000188475_100000760354 [0,0,0,1,0,0|1,0,2]=4 2300 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000188475 [0,0,0,1,0,0|1,0,2]=4 2301 B14R1.609 CCOC(=O)NCCOC1CCCC1 34a_100000158857_100000179811 [0,0,0,1,0,0|2,0,1]=4 2302 B14R1.609 CCOC(=O)NCCOC1CCCC1 7a_100000210269_200011445536 [0,0,0,1,0,0|2,0,1]=4 2303 B14R1.609 CCOC(=O)NCCSC1CCCC1 62a_100011217020_200011445536 [0,0,0,1,0,0|2,0,1]=4 2304 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,0,0,1,0,0|2,0,1]=4 2305 B14R1.611 CCOC(=O)CCCOCC1CC1C 34a_100000744939_100009991533 [0,0,0,1,0,0|1,0,1]=3 2306 B14R1.611 CCOC(=O)CCCOCC1CC1C 7a_100000744939_100011215271 [0,0,0,1,0,0|1,0,1]=3 2307 B14R1.611 CCOC(=O)NCCOCC1CC1C 7a_100000744939_200011445536 [0,0,0,1,0,0|2,0,1]=4 2308 B14R1.612 CCOC(=O)CCCCCN1CCC1 269982a_100000754969_100000755133 [0,0,0,1,0,0|1,0,2]=4 2309 B14R1.612 CCOC(=O)CCCCNC1CCC1 2230a_100000749019_100000750268 [0,0,0,1,0,0|1,0,2]=4 2310 B14R1.612 CCOC(=O)CCCCNC1CCC1 34a_100000749019_100000750268 [0,0,0,1,0,0|1,0,2]=4 2311 B14R1.612 CCOC(=O)CCCCOC1CCC1 34a_100000748187_100000750268 [0,0,0,1,0,0|1,0,2]=4 2312 B14R1.612 CCOC(=O)CCCCSC1CCC1 62a_100000750268_100000749161 [0,0,0,1,0,0|1,0,2]=4 2313 B14R1.612 CCOC(=O)CCCNCC1CCC1 2230a_100000738700_100009991533 [0,0,0,1,0,0|1,0,1]=3 2314 B14R1.612 CCOC(=O)CCCNCC1CCC1 34a_100000738700_100009991533 [0,0,0,1,0,0|1,0,1]=3 2315 B14R1.612 CCOC(=O)CCCNCC1COC1 2230a_100015281925_100009991533 [0,0,0,1,0,0|2,0,1]=4 2316 B14R1.612 CCOC(=O)CCCNCC1COC1 34a_100015281925_100009991533 [0,0,0,1,0,0|2,0,1]=4 2317 B14R1.612 CCOC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100009991533 [0,0,0,1,0,0|2,0,1]=4 2318 B14R1.612 CCOC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100009991533 [0,0,0,1,0,0|2,0,1]=4 2319 B14R1.612 CCOC(=O)CCCOCC1CCC1 34a_100000760304_100009991533 [0,0,0,1,0,0|1,0,1]=3 2320 B14R1.612 CCOC(=O)CCCOCC1CCC1 7a_100012001163_100000763275 [0,0,0,1,0,0|1,0,1]=3 2321 B14R1.612 CCOC(=O)CCCOCC1CCO1 34a_100000039022_100009991533 [0,0,0,1,0,0|2,0,1]=4 2322 B14R1.612 CCOC(=O)CCCOCC1CCO1 7a_100012001163_100000103362 [0,0,0,1,0,0|2,0,1]=4 2323 B14R1.612 CCOC(=O)CCCOCC1CNC1 34a_100016987283_100009991533 [0,0,0,1,0,0|2,0,1]=4 2324 B14R1.612 CCOC(=O)CCCOCC1COC1 34a_100000060846_100009991533 [0,0,0,1,0,0|2,0,1]=4 2325 B14R1.612 CCOC(=O)CCCOCC1COC1 7a_100012001163_100010264016 [0,0,0,1,0,0|2,0,1]=4 2326 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100000763275_100009991533 [0,0,0,1,0,0|1,0,1]=3 2327 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100009991533_100000763275 [0,0,0,1,0,0|1,0,1]=3 2328 B14R1.612 CCOC(=O)CCCSCC1CCO1 62a_100000103362_100009991533 [0,0,0,1,0,0|2,0,1]=4 2329 B14R1.612 CCOC(=O)CCCSCC1CCO1 62a_100009991533_100000103362 [0,0,0,1,0,0|2,0,1]=4 2330 B14R1.612 CCOC(=O)CCCSCC1COC1 62a_100009991533_100010264016 [0,0,0,1,0,0|2,0,1]=4 2331 B14R1.612 CCOC(=O)CCCSCC1COC1 62a_100010264016_100009991533 [0,0,0,1,0,0|2,0,1]=4 2332 B14R1.612 CCOC(=O)CCOCCC1COC1 34a_100009855314_100000765890 [0,0,0,1,0,0|2,0,1]=4 2333 B14R1.612 CCOC(=O)NCCOCC1CCC1 34a_100000158857_100000763275 [0,0,0,1,0,0|2,0,1]=4 2334 B14R1.612 CCOC(=O)NCCSCC1CCC1 62a_100000763275_200011445536 [0,0,0,1,0,0|2,0,1]=4 2335 B14R1.635 CC=CC(=O)N1CC=CC1CCCC 11a_100015184376_100000210699 [0,0,0,1,0,0|2,0,1]=4 2336 B14R1.635 CC=CC(=O)N1CC=CC1CCCC 1626a_100015184376_100000210699 [0,0,0,1,0,0|2,0,1]=4 2337 B14R1.635 CC=CC(=O)N1CC=CC1CCCC 240690a_100015184376_100000210699 [0,0,0,1,0,0|2,0,1]=4 2338 B14R1.635 CCCCC1C=CCN1C(=O)CCC 11a_100015184376_100000211992 [0,0,0,1,0,0|2,0,0]=3 2339 B14R1.635 CCCCC1C=CCN1C(=O)CCC 1626a_100015184376_100000211992 [0,0,0,1,0,0|2,0,0]=3 2340 B14R1.635 CCCCC1C=CCN1C(=O)CCC 240690a_100015184376_100000211992 [0,0,0,1,0,0|2,0,0]=3 2341 B14R1.635 CCCCC1C=CCN1C(=O)CCC 527a_100015184376_100000211992 [0,0,0,1,0,0|2,0,0]=3 2342 B14R1.635 CCCCC1C=CCN1C(=O)CCO 240690a_100015184376_100011216618 [0,0,0,1,0,0|3,0,0]=4 2343 B14R1.635 CCCCC1C=CCN1C(=O)COC 11a_100015184376_100000210968 [0,0,0,1,0,0|3,0,0]=4 2344 B14R1.635 CCCCC1C=CCN1C(=O)COC 1626a_100015184376_100000210968 [0,0,0,1,0,0|3,0,0]=4 2345 B14R1.635 CCCCC1C=CCN1C(=O)COC 240690a_100015184376_100000210968 [0,0,0,1,0,0|3,0,0]=4 2346 B14R1.635 CCCCC1C=CCN1C(=O)COC 527a_100015184376_100000210968 [0,0,0,1,0,0|3,0,0]=4 2347 B14R1.635 CCCCC1C=CCN1C(=O)CSC 11a_100015184376_100000184570 [0,0,0,1,0,0|3,0,0]=4 2348 B14R1.635 CCCCC1C=CCN1C(=O)CSC 1626a_100015184376_100000184570 [0,0,0,1,0,0|3,0,0]=4 2349 B14R1.635 CCCCC1C=CCN1C(=O)CSC 240690a_100015184376_100000184570 [0,0,0,1,0,0|3,0,0]=4 2350 B14R1.635 CCCCC1C=CCN1C(=O)CSC 527a_100015184376_100000184570 [0,0,0,1,0,0|3,0,0]=4 2351 B14R1.635 CCCCC1C=CCN1C(=O)NCC 2708a_100015525214_100015184376 [0,0,0,1,0,0|2,0,0]=3 2352 B14R1.635 CCCCC1C=CCN1C(=O)NCC 273464a_100015525214_100015184376 [0,0,0,1,0,0|2,0,0]=3 2353 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210211 [0,0,0,1,0,0|1,0,2]=4 2354 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210211 [0,0,0,1,0,0|1,0,2]=4 2355 B14R1.635 CCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210211 [0,0,0,1,0,0|2,0,1]=4 2356 B14R1.635 CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210303 [0,0,0,1,0,0|1,0,2]=4 2357 B14R1.947 CCNC(=O)CCN1CCCC1CC 2230a_100000754278_100000737597 [0,0,0,1,0,0|2,0,1]=4 2358 B14R1.947 CCNC(=O)CCN1CCCC1CC 269982a_100000754278_100000737597 [0,0,0,1,0,0|2,0,1]=4 2359 B14R1.947 CCOC(=O)CCN1CCCC1CC 2230a_100000754278_100011206558 [0,0,0,1,0,0|1,0,1]=3 2360 B14R1.947 CCOC(=O)CCN1CCCC1CC 269982a_100000754278_100011206558 [0,0,0,1,0,0|1,0,1]=3 2361 B14R1.947 CCOC(=O)CCN1CCCC1CC 34a_100000754278_100000765890 [0,0,0,1,0,0|1,0,1]=3 2362 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100011206558 [0,0,0,1,0,0|2,0,1]=4 2363 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100011206558 [0,0,0,1,0,0|2,0,1]=4 2364 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000765890 [0,0,0,1,0,0|2,0,1]=4 2365 B14R1.948 CCNC(=O)CCNC1CCCC1C 269862a_100025743525_100000752053 [0,0,0,1,0,0|2,0,1]=4 2366 B14R1.948 CCNC(=O)CCOC1CCCC1C 7a_100011216460_100000737597 [0,0,0,1,0,0|2,0,1]=4 2367 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100009991533 [0,0,0,1,0,0|1,0,1]=3 2368 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100009991533 [0,0,0,1,0,0|1,0,1]=3 2369 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100009991533 [0,0,0,1,0,0|1,0,1]=3 2370 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100009991533 [0,0,0,1,0,0|1,0,1]=3 2371 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100009991533 [0,0,0,1,0,0|1,0,1]=3 2372 B14R1.948 CCOC(=O)CCCN1CCSC1C 2230a_200011216479_100009991533 [0,0,0,1,0,0|2,0,1]=4 2373 B14R1.948 CCOC(=O)CCCN1CCSC1C 269982a_200011216479_100009991533 [0,0,0,1,0,0|2,0,1]=4 2374 B14R1.948 CCOC(=O)CCCN1CCSC1C 34a_200011216479_100009991533 [0,0,0,1,0,0|2,0,1]=4 2375 B14R1.948 CCOC(=O)CCOC1CCCC1C 34a_100011216460_100000765890 [0,0,0,1,0,0|1,0,1]=3 2376 B14R1.948 CCOC(=O)CCOC1CCCC1C 7a_100011216460_100011206558 [0,0,0,1,0,0|1,0,1]=3 2377 B14R1.948 CCOC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000765890 [0,0,0,1,0,0|2,0,1]=4 2378 B14R1.948 CCOC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000765890 [0,0,0,1,0,0|2,0,1]=4 2379 B14R1.948 CCOC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000765890 [0,0,0,1,0,0|2,0,1]=4 2380 B14R1.948 CCOC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000765890_200016002552 [0,0,0,1,0,0|2,0,1]=4 2381 B14R1.948 CCOC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000765890 [0,0,0,1,0,0|2,0,1]=4 2382 B14R1.948 CCOC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_200011445536 [0,0,0,1,0,0|2,0,1]=4 2383 B14R1.948 CCOC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_200011445536 [0,0,0,1,0,0|2,0,1]=4 2384 B14R1.955 CCOC(=O)CCCCCNC1CC1 34a_100000212008_100000755133 [0,0,0,1,0,0|1,0,2]=4 2385 B14R1.955 CCOC(=O)CCCCCSC1CC1 62a_100000755133_100000211595 [0,0,0,1,0,0|1,0,2]=4 2386 B14R1.955 CCOC(=O)CCCCNCC1CC1 2230a_100000735609_100000750268 [0,0,0,1,0,0|1,0,2]=4 2387 B14R1.955 CCOC(=O)CCCCNCC1CC1 34a_100000735609_100000750268 [0,0,0,1,0,0|1,0,2]=4 2388 B14R1.955 CCOC(=O)CCCCOCC1CC1 34a_100000211283_100000750268 [0,0,0,1,0,0|1,0,2]=4 2389 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000750268_100000742324 [0,0,0,1,0,0|1,0,2]=4 2390 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000756562_100000750268 [0,0,0,1,0,0|1,0,2]=4 2391 B14R1.955 CCOC(=O)CCCNCCC1CC1 34a_100000764129_100009991533 [0,0,0,1,0,0|1,0,1]=3 2392 B14R1.955 CCOC(=O)CCCOCCC1CC1 34a_100000754188_100009991533 [0,0,0,1,0,0|1,0,1]=3 2393 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100000754188_100011215271 [0,0,0,1,0,0|1,0,1]=3 2394 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100012001163_100000764125 [0,0,0,1,0,0|1,0,1]=3 2395 B14R1.955 CCOC(=O)CCCOCCC1CO1 7a_100012001163_100000732470 [0,0,0,1,0,0|2,0,1]=4 2396 B14R1.955 CCOC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100009991533 [0,0,0,1,0,0|2,0,1]=4 2397 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100000764125_100009991533 [0,0,0,1,0,0|1,0,1]=3 2398 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100009991533_100000764125 [0,0,0,1,0,0|1,0,1]=3 2399 B14R1.955 CCOC(=O)CCCSCCC1CO1 62a_100000732470_100009991533 [0,0,0,1,0,0|2,0,1]=4 2400 B14R1.955 CCOC(=O)CCCSCCC1CO1 62a_100009991533_100000732470 [0,0,0,1,0,0|2,0,1]=4 2401 B14R1.955 CCOC(=O)CCOCCNC1CC1 34a_100000738766_100000765890 [0,0,0,1,0,0|2,0,1]=4 2402 B14R1.955 CCOC(=O)CCSCCCC1CO1 62a_100000733510_100000765890 [0,0,0,1,0,0|2,0,1]=4 2403 B14R1.955 CCOC(=O)CCSCCCC1CO1 62a_100000765890_100000733510 [0,0,0,1,0,0|2,0,1]=4 2404 B14R1.955 CCOC(=O)NCCOCCC1CC1 34a_100000158857_100000694398 [0,0,0,1,0,0|2,0,1]=4 2405 B14R1.955 CCOC(=O)NCCOCCC1CC1 7a_100000754188_200011445536 [0,0,0,1,0,0|2,0,1]=4 2406 B14R1.955 CCOC(=O)NCCSCCC1CC1 62a_100000764125_200011445536 [0,0,0,1,0,0|2,0,1]=4 2407 B14R1.963 CCOC(=O)CCCCN1CCC1C 269982a_100000755817_100000750268 [0,0,0,1,0,0|1,0,2]=4 2408 B14R1.963 CCOC(=O)CCCCN1CCC1C 34a_100000755817_100000750268 [0,0,0,1,0,0|1,0,2]=4 2409 B14R1.965 CCOC(=O)CC1CCCCN1CC 2230a_100116209990_100000210202 [0,0,0,1,0,0|1,0,2]=4 2410 B14R1.965 CCOC(=O)CC1CCCCN1CC 269982a_100116209990_100000204670 [0,0,0,1,0,0|1,0,2]=4 2411 B14R1.965 CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000188475 [0,0,0,1,0,0|1,0,2]=4 2412 B14R1.965 CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000188475 [0,0,0,1,0,0|1,0,2]=4 2413 B14R1.965 CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000188475 [0,0,0,1,0,0|1,0,2]=4 2414 B14R1.1253 CCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210314 [0,0,0,1,0,0|2,0,1]=4 2415 B14R1.1253 CCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210757 [0,0,0,1,0,0|2,0,1]=4 2416 B14R1.6816 CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210670 [0,0,0,1,0,0|1,0,2]=4 2417 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000211992_100000722644 [0,0,0,1,0,0|2,0,1]=4 2418 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210303 [0,0,0,1,0,0|2,0,1]=4 2419 B14R1.7146 CCCC(=O)CNC1=NCCCCC1 1458a_100000016077_100000210303 [0,0,0,1,0,0|3,0,0]=4 2420 B14R1.7146 CCNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737597 [0,0,0,1,0,0|2,0,1]=4 2421 B14R1.7146 CCNC(=O)CCN1CCCCCC1 240690a_100015525214_100000740320 [0,0,0,1,0,0|2,0,1]=4 2422 B14R1.7146 CCNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737597 [0,0,0,1,0,0|2,0,1]=4 2423 B14R1.7146 CCNC(=O)CNC1=NCCCCC1 240690a_100015525214_100000016077 [0,0,0,1,0,0|3,0,0]=4 2424 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,0,0,1,0,0|1,0,1]=3 2425 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,0,0,1,0,0|1,0,1]=3 2426 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,0,0,1,0,0|1,0,1]=3 2427 B14R1.7146 CCOC(=O)CCN1CCCOCC1 2230a_100000685342_100011206558 [0,0,0,1,0,0|2,0,1]=4 2428 B14R1.7146 CCOC(=O)CCN1CCCOCC1 269982a_100000685342_100011206558 [0,0,0,1,0,0|2,0,1]=4 2429 B14R1.7146 CCOC(=O)CCN1CCCOCC1 34a_100000685342_100000765890 [0,0,0,1,0,0|2,0,1]=4 2430 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,0,0,1,0,0|1,0,2]=4 2431 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,0,0,1,0,0|1,0,2]=4 2432 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,0,0,1,0,0|1,0,2]=4 2433 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,0,0,1,0,0|1,0,2]=4 2434 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,0,0,1,0,0|1,0,2]=4 2435 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,0,0,1,0,0|1,0,2]=4 2436 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,0,0,1,0,0|1,0,2]=4 2437 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,0,0,1,0,0|1,0,2]=4 2438 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,0,0,1,0,0|1,0,2]=4 2439 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [2,0,0,0,0,0|0,0,2]=4 2440 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [2,0,0,0,0,0|0,0,2]=4 2441 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [2,0,0,0,0,0|2,0,0]=4 2442 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [2,0,0,0,0,0|2,0,0]=4 2443 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [2,0,0,0,0,0|2,0,0]=4 2444 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [2,0,0,0,0,0|2,0,0]=4 2445 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [2,0,0,0,0,0|2,0,0]=4 2446 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [2,0,0,0,0,0|2,0,0]=4 2447 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [2,0,0,0,0,0|2,0,0]=4 2448 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [2,0,0,0,0,0|2,0,0]=4 2449 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [2,0,0,0,0,0|2,0,0]=4 2450 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [2,0,0,0,0,0|2,0,0]=4 2451 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [2,0,0,0,0,0|2,0,0]=4 2452 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [2,0,0,0,0,0|1,0,1]=4 2453 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [2,0,0,0,0,0|1,0,1]=4 2454 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [2,0,0,0,0,0|0,0,1]=3 2455 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [2,0,0,0,0,0|0,0,1]=3 2456 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [2,0,0,0,0,0|0,0,1]=3 2457 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [2,0,0,0,0,0|0,0,1]=3 2458 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [2,0,0,0,0,0|0,0,0]=2 2459 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [2,0,0,0,0,0|0,0,0]=2 2460 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [2,0,0,0,0,0|1,0,0]=3 2461 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [2,0,0,0,0,0|1,0,0]=3 2462 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [2,0,0,0,0,0|0,0,2]=4 2463 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [2,0,0,0,0,0|0,0,2]=4 2464 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [2,0,0,0,0,0|0,0,2]=4 2465 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [2,0,0,0,0,0|0,0,2]=4 2466 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|0,0,2]=4 2467 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|0,0,2]=4 2468 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|0,0,2]=4 2469 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [2,0,0,0,0,0|1,0,1]=4 2470 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [2,0,0,0,0,0|1,0,1]=4 2471 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [2,0,0,0,0,0|1,0,1]=4 2472 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [2,0,0,0,0,0|1,0,1]=4 2473 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [2,0,0,0,0,0|1,0,1]=4 2474 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [2,0,0,0,0,0|1,0,1]=4 2475 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [2,0,0,0,0,0|1,0,1]=4 2476 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [2,0,0,0,0,0|1,0,1]=4 2477 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [2,0,0,0,0,0|1,0,1]=4 2478 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [2,0,0,0,0,0|1,0,1]=4 2479 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [2,0,0,0,0,0|1,0,1]=4 2480 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [2,0,0,0,0,0|1,0,1]=4 2481 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [2,0,0,0,0,0|1,0,1]=4 2482 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [2,0,0,0,0,0|1,0,1]=4 2483 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [2,0,0,0,0,0|1,0,1]=4 2484 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [2,0,0,0,0,0|1,0,1]=4 2485 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [2,0,0,0,0,0|1,0,1]=4 2486 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [2,0,0,0,0,0|1,0,1]=4 2487 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [2,0,0,0,0,0|1,0,1]=4 2488 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [2,0,0,0,0,0|1,0,1]=4 2489 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [2,0,0,0,0,0|1,0,1]=4 2490 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [2,0,0,0,0,0|1,0,1]=4 2491 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [2,0,0,0,0,0|2,0,0]=4 2492 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [2,0,0,0,0,0|2,0,0]=4 2493 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [2,0,0,0,0,0|2,0,0]=4 2494 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [2,0,0,0,0,0|2,0,0]=4 2495 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [2,0,0,0,0,0|1,0,0]=3 2496 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [2,0,0,0,0,0|2,0,0]=4 2497 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [2,0,0,0,0,0|2,0,0]=4 2498 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [2,0,0,0,0,0|1,0,0]=3 2499 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [2,0,0,0,0,0|1,0,0]=3 2500 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [2,0,0,0,0,0|1,0,0]=3 2501 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [2,0,0,0,0,0|2,0,0]=4 2502 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [2,0,0,0,0,0|1,0,0]=3 2503 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [2,0,0,0,0,0|2,0,0]=4 2504 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [2,0,0,0,0,0|2,0,0]=4 2505 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [2,0,0,0,0,0|1,0,0]=3 2506 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [2,0,0,0,0,0|1,0,0]=3 2507 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [2,0,0,0,0,0|2,0,0]=4 2508 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [2,0,0,0,0,0|1,0,0]=3 2509 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [2,0,0,0,0,0|1,0,0]=3 2510 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [2,0,0,0,0,0|2,0,0]=4 2511 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [2,0,0,0,0,0|2,0,0]=4 2512 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [2,0,0,0,0,0|2,0,0]=4 2513 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [2,0,0,0,0,0|2,0,0]=4 2514 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [2,0,0,0,0,0|2,0,0]=4 2515 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 2516 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 2517 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 2518 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [2,0,0,0,0,0|2,0,0]=4 2519 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [2,0,0,0,0,0|1,0,1]=4 2520 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [2,0,0,0,0,0|1,0,1]=4 2521 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [2,0,0,0,0,0|1,0,1]=4 2522 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 2523 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 2524 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 2525 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 2526 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 2527 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 2528 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 2529 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 2530 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 2531 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 2532 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [2,0,0,0,0,0|2,0,0]=4 2533 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [2,0,0,0,0,0|2,0,0]=4 2534 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [2,0,0,0,0,0|2,0,0]=4 2535 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [2,0,0,0,0,0|1,0,0]=3 2536 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [2,0,0,0,0,0|2,0,0]=4 2537 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 2538 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 2539 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [2,0,0,0,0,0|1,0,0]=3 2540 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [2,0,0,0,0,0|1,0,0]=3 2541 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [2,0,0,0,0,0|2,0,0]=4 2542 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [2,0,0,0,0,0|2,0,0]=4 2543 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [2,0,0,0,0,0|2,0,0]=4 2544 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [2,0,0,0,0,0|2,0,0]=4 2545 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [2,0,0,0,0,0|1,0,0]=3 2546 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [2,0,0,0,0,0|1,0,0]=3 2547 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [2,0,0,0,0,0|2,0,0]=4 2548 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [2,0,0,0,0,0|2,0,0]=4 2549 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [2,0,0,0,0,0|2,0,0]=4 2550 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [2,0,0,0,0,0|1,0,0]=3 2551 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [2,0,0,0,0,0|1,0,0]=3 2552 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [2,0,0,0,0,0|2,0,0]=4 2553 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [2,0,0,0,0,0|2,0,0]=4 2554 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [2,0,0,0,0,0|2,0,0]=4 2555 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [2,0,0,0,0,0|1,0,0]=3 2556 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [2,0,0,0,0,0|1,0,0]=3 2557 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [2,0,0,0,0,0|2,0,0]=4 2558 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [2,0,0,0,0,0|2,0,0]=4 2559 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [2,0,0,0,0,0|1,0,0]=3 2560 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [2,0,0,0,0,0|1,0,0]=3 2561 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [2,0,0,0,0,0|2,0,0]=4 2562 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [2,0,0,0,0,0|1,0,0]=3 2563 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [2,0,0,0,0,0|1,0,0]=3 2564 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [2,0,0,0,0,0|1,0,0]=3 2565 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [2,0,0,0,0,0|2,0,0]=4 2566 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [2,0,0,0,0,0|1,0,0]=3 2567 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [2,0,0,0,0,0|1,0,0]=3 2568 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [2,0,0,0,0,0|1,0,0]=3 2569 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [2,0,0,0,0,0|1,0,0]=3 2570 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [2,0,0,0,0,0|2,0,0]=4 2571 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [2,0,0,0,0,0|2,0,0]=4 2572 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 2573 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 2574 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 2575 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [2,0,0,0,0,0|1,0,0]=3 2576 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [2,0,0,0,0,0|2,0,0]=4 2577 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [2,0,0,0,0,0|2,0,0]=4 2578 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [2,0,0,0,0,0|2,0,0]=4 2579 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [2,0,0,0,0,0|2,0,0]=4 2580 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [2,0,0,0,0,0|2,0,0]=4 2581 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [2,0,0,0,0,0|2,0,0]=4 2582 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [2,0,0,0,0,0|2,0,0]=4 2583 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [2,0,0,0,0,0|2,0,0]=4 2584 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [2,0,0,0,0,0|2,0,0]=4 2585 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [2,0,0,0,0,0|2,0,0]=4 2586 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [2,0,0,0,0,0|2,0,0]=4 2587 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [2,0,0,0,0,0|2,0,0]=4 2588 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [2,0,0,0,0,0|2,0,0]=4 2589 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [2,0,0,0,0,0|2,0,0]=4 2590 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [2,0,0,0,0,0|1,0,0]=3 2591 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [2,0,0,0,0,0|1,0,0]=3 2592 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [2,0,0,0,0,0|1,0,0]=3 2593 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [2,0,0,0,0,0|1,0,0]=3 2594 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [2,0,0,0,0,0|1,0,0]=3 2595 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [2,0,0,0,0,0|1,0,0]=3 2596 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [2,0,0,0,0,0|1,0,0]=3 2597 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [2,0,0,0,0,0|1,0,0]=3 2598 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [2,0,0,0,0,0|1,0,0]=3 2599 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [2,0,0,0,0,0|1,0,0]=3 2600 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [2,0,0,0,0,0|1,0,0]=3 2601 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [2,0,0,0,0,0|1,0,0]=3 2602 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [2,0,0,0,0,0|2,0,0]=4 2603 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [2,0,0,0,0,0|2,0,0]=4 2604 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [2,0,0,0,0,0|2,0,0]=4 2605 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [2,0,0,0,0,0|2,0,0]=4 2606 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [2,0,0,0,0,0|2,0,0]=4 2607 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [2,0,0,0,0,0|2,0,0]=4 2608 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [2,0,0,0,0,0|2,0,0]=4 2609 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [2,0,0,0,0,0|2,0,0]=4 2610 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [2,0,0,0,0,0|2,0,0]=4 2611 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [2,0,0,0,0,0|2,0,0]=4 2612 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [2,0,0,0,0,0|2,0,0]=4 2613 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [2,0,0,0,0,0|2,0,0]=4 2614 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [2,0,0,0,0,0|2,0,0]=4 2615 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [2,0,0,0,0,0|2,0,0]=4 2616 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [2,0,0,0,0,0|2,0,0]=4 2617 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [2,0,0,0,0,0|2,0,0]=4 2618 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [2,0,0,0,0,0|2,0,0]=4 2619 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [2,0,0,0,0,0|2,0,0]=4 2620 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [2,0,0,0,0,0|2,0,0]=4 2621 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [2,0,0,0,0,0|2,0,0]=4 2622 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [2,0,0,0,0,0|2,0,0]=4 2623 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [2,0,0,0,0,0|2,0,0]=4 2624 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [2,0,0,0,0,0|2,0,0]=4 2625 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [2,0,0,0,0,0|2,0,0]=4 2626 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [2,0,0,0,0,0|2,0,0]=4 2627 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [2,0,0,0,0,0|2,0,0]=4 2628 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [2,0,0,0,0,0|2,0,0]=4 2629 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [2,0,0,0,0,0|2,0,0]=4 2630 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [2,0,0,0,0,0|2,0,0]=4 2631 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [2,0,0,0,0,0|2,0,0]=4 2632 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [2,0,0,0,0,0|2,0,0]=4 2633 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [2,0,0,0,0,0|2,0,0]=4 2634 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [2,0,0,0,0,0|2,0,0]=4 2635 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [2,0,0,0,0,0|2,0,0]=4 2636 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [2,0,0,0,0,0|2,0,0]=4 2637 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [2,0,0,0,0,0|2,0,0]=4 2638 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 2639 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 2640 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [2,0,0,0,0,0|2,0,0]=4 2641 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [2,0,0,0,0,0|2,0,0]=4 2642 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [2,0,0,0,0,0|2,0,0]=4 2643 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [2,0,0,0,0,0|2,0,0]=4 2644 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 2645 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 2646 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [2,0,0,0,0,0|2,0,0]=4 2647 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [2,0,0,0,0,0|2,0,0]=4 2648 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [2,0,0,0,0,0|2,0,0]=4 2649 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 2650 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [2,0,0,0,0,0|2,0,0]=4 2651 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [2,0,0,0,0,0|2,0,0]=4 2652 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [2,0,0,0,0,0|2,0,0]=4 2653 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [2,0,0,0,0,0|2,0,0]=4 2654 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [2,0,0,0,0,0|2,0,0]=4 2655 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [2,0,0,0,0,0|2,0,0]=4 2656 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [2,0,0,0,0,0|2,0,0]=4 2657 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [2,0,0,0,0,0|2,0,0]=4 2658 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [2,0,0,0,0,0|2,0,0]=4 2659 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [2,0,0,0,0,0|2,0,0]=4 2660 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [2,0,0,0,0,0|2,0,0]=4 2661 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [2,0,0,0,0,0|2,0,0]=4 2662 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [2,0,0,0,0,0|2,0,0]=4 2663 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [2,0,0,0,0,0|2,0,0]=4 2664 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [2,0,0,0,0,0|2,0,0]=4 2665 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [2,0,0,0,0,0|2,0,0]=4 2666 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [2,0,0,0,0,0|2,0,0]=4 2667 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [2,0,0,0,0,0|2,0,0]=4 2668 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [2,0,0,0,0,0|2,0,0]=4 2669 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 2670 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [2,0,0,0,0,0|2,0,0]=4 2671 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [2,0,0,0,0,0|2,0,0]=4 2672 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [2,0,0,0,0,0|2,0,0]=4 2673 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [2,0,0,0,0,0|2,0,0]=4 2674 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [2,0,0,0,0,0|1,0,0]=3 2675 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [2,0,0,0,0,0|2,0,0]=4 2676 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [2,0,0,0,0,0|2,0,0]=4 2677 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [2,0,0,0,0,0|2,0,0]=4 2678 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [2,0,0,0,0,0|2,0,0]=4 2679 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [2,0,0,0,0,0|2,0,0]=4 2680 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [2,0,0,0,0,0|2,0,0]=4 2681 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [2,0,0,0,0,0|2,0,0]=4 2682 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [2,0,0,0,0,0|2,0,0]=4 2683 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [2,0,0,0,0,0|2,0,0]=4 2684 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [2,0,0,0,0,0|2,0,0]=4 2685 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [2,0,0,0,0,0|1,0,1]=4 2686 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [2,0,0,0,0,0|1,0,1]=4 2687 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [2,0,0,0,0,0|1,0,1]=4 2688 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [2,0,0,0,0,0|0,0,0]=2 2689 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [2,0,0,0,0,0|1,0,0]=3 2690 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [2,0,0,0,0,0|1,0,0]=3 2691 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [2,0,0,0,0,0|1,0,0]=3 2692 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [2,0,0,0,0,0|1,0,0]=3 2693 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [2,0,0,0,0,0|0,0,2]=4 2694 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [2,0,0,0,0,0|2,0,0]=4 2695 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [2,0,0,0,0,0|0,0,2]=4 2696 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [2,0,0,0,0,0|0,0,1]=3 2697 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [2,0,0,0,0,0|0,0,1]=3 2698 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [2,0,0,0,0,0|1,0,1]=4 2699 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [2,0,0,0,0,0|1,0,1]=4 2700 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [2,0,0,0,0,0|1,0,1]=4 2701 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [2,0,0,0,0,0|1,0,1]=4 2702 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [2,0,0,0,0,0|1,0,1]=4 2703 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [2,0,0,0,0,0|1,0,1]=4 2704 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [2,0,0,0,0,0|1,0,1]=4 2705 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [2,0,0,0,0,0|1,0,1]=4 2706 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [2,0,0,0,0,0|1,0,1]=4 2707 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [2,0,0,0,0,0|1,0,1]=4 2708 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [2,0,0,0,0,0|1,0,1]=4 2709 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [2,0,0,0,0,0|1,0,1]=4 2710 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [2,0,0,0,0,0|1,0,1]=4 2711 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [2,0,0,0,0,0|1,0,1]=4 2712 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [2,0,0,0,0,0|1,0,1]=4 2713 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [2,0,0,0,0,0|1,0,1]=4 2714 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [2,0,0,0,0,0|1,0,1]=4 2715 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [2,0,0,0,0,0|1,0,1]=4 2716 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [2,0,0,0,0,0|1,0,1]=4 2717 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [2,0,0,0,0,0|2,0,0]=4 2718 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [2,0,0,0,0,0|2,0,0]=4 2719 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [2,0,0,0,0,0|2,0,0]=4 2720 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [2,0,0,0,0,0|1,0,0]=3 2721 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [2,0,0,0,0,0|2,0,0]=4 2722 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [2,0,0,0,0,0|2,0,0]=4 2723 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [2,0,0,0,0,0|2,0,0]=4 2724 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [2,0,0,0,0,0|1,0,0]=3 2725 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [2,0,0,0,0,0|1,0,0]=3 2726 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [2,0,0,0,0,0|2,0,0]=4 2727 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [2,0,0,0,0,0|2,0,0]=4 2728 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [2,0,0,0,0,0|1,0,0]=3 2729 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [2,0,0,0,0,0|1,0,0]=3 2730 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [2,0,0,0,0,0|2,0,0]=4 2731 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [2,0,0,0,0,0|1,0,1]=4 2732 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [2,0,0,0,0,0|1,0,1]=4 2733 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [2,0,0,0,0,0|2,0,0]=4 2734 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [2,0,0,0,0,0|1,0,1]=4 2735 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [2,0,0,0,0,0|1,0,1]=4 2736 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [2,0,0,0,0,0|1,0,1]=4 2737 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [2,0,0,0,0,0|1,0,1]=4 2738 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [2,0,0,0,0,0|2,0,0]=4 2739 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [2,0,0,0,0,0|1,0,1]=4 2740 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [2,0,0,0,0,0|1,0,1]=4 2741 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [2,0,0,0,0,0|1,0,1]=4 2742 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [2,0,0,0,0,0|1,0,1]=4 2743 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [2,0,0,0,0,0|1,0,1]=4 2744 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [2,0,0,0,0,0|1,0,1]=4 2745 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [2,0,0,0,0,0|1,0,1]=4 2746 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [2,0,0,0,0,0|1,0,1]=4 2747 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [2,0,0,0,0,0|1,0,1]=4 2748 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [2,0,0,0,0,0|2,0,0]=4 2749 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [2,0,0,0,0,0|2,0,0]=4 2750 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [2,0,0,0,0,0|2,0,0]=4 2751 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [2,0,0,0,0,0|2,0,0]=4 2752 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [2,0,0,0,0,0|2,0,0]=4 2753 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [2,0,0,0,0,0|2,0,0]=4 2754 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [2,0,0,0,0,0|2,0,0]=4 2755 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [2,0,0,0,0,0|1,0,1]=4 2756 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [2,0,0,0,0,0|1,0,1]=4 2757 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [2,0,0,0,0,0|2,0,0]=4 2758 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [2,0,0,0,0,0|2,0,0]=4 2759 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [2,0,0,0,0,0|2,0,0]=4 2760 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [2,0,0,0,0,0|2,0,0]=4 2761 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [2,0,0,0,0,0|2,0,0]=4 2762 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [2,0,0,0,0,0|1,0,1]=4 2763 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [2,0,0,0,0,0|1,0,1]=4 2764 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [2,0,0,0,0,0|1,0,1]=4 2765 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [2,0,0,0,0,0|2,0,0]=4 2766 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [2,0,0,0,0,0|1,0,1]=4 2767 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [2,0,0,0,0,0|1,0,1]=4 2768 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [2,0,0,0,0,0|1,0,1]=4 2769 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [2,0,0,0,0,0|1,0,1]=4 2770 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [2,0,0,0,0,0|1,0,1]=4 2771 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [2,0,0,0,0,0|1,0,1]=4 2772 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [2,0,0,0,0,0|2,0,0]=4 2773 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [2,0,0,0,0,0|2,0,0]=4 2774 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [2,0,0,0,0,0|2,0,0]=4 2775 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [2,0,0,0,0,0|2,0,0]=4 2776 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [2,0,0,0,0,0|2,0,0]=4 2777 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [2,0,0,0,0,0|2,0,0]=4 2778 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [2,0,0,0,0,0|2,0,0]=4 2779 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [2,0,0,0,0,0|2,0,0]=4 2780 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [2,0,0,0,0,0|2,0,0]=4 2781 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [2,0,0,0,0,0|2,0,0]=4 2782 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [2,0,0,0,0,0|2,0,0]=4 2783 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [2,0,0,0,0,0|2,0,0]=4 2784 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [2,0,0,0,0,0|2,0,0]=4 2785 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [2,0,0,0,0,0|2,0,0]=4 2786 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [2,0,0,0,0,0|2,0,0]=4 2787 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [2,0,0,0,0,0|2,0,0]=4 2788 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [2,0,0,0,0,0|1,0,1]=4 2789 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [2,0,0,0,0,0|1,0,1]=4 2790 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [2,0,0,0,0,0|1,0,1]=4 2791 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [2,0,0,0,0,0|2,0,0]=4 2792 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [2,0,0,0,0,0|2,0,0]=4 2793 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [2,0,0,0,0,0|2,0,0]=4 2794 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [2,0,0,0,0,0|2,0,0]=4 2795 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [2,0,0,0,0,0|0,0,0]=2 2796 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [2,0,0,0,0,0|0,0,0]=2 2797 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [2,0,0,0,0,0|0,0,2]=4 2798 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [2,0,0,0,0,0|0,0,2]=4 2799 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|0,0,2]=4 2800 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|0,0,2]=4 2801 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|0,0,2]=4 2802 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|1,0,1]=4 2803 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|1,0,1]=4 2804 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|1,0,1]=4 2805 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|1,0,1]=4 2806 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|1,0,1]=4 2807 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|1,0,1]=4 2808 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|1,0,1]=4 2809 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|1,0,1]=4 2810 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|1,0,1]=4 2811 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|1,0,1]=4 2812 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|1,0,1]=4 2813 B13R0.66 C#CCCC(=O)C/C=C/CCCCC 1458a_100020675968_100000753159 [1,1,0,0,0,0|1,0,1]=4 2814 B13R0.66 C#CCNC(=O)C/C=C/CCCCC 11a_100000212058_100020675968 [1,1,0,0,0,0|1,0,1]=4 2815 B13R0.66 C#CCNC(=O)C/C=C/CCCCC 1626a_100000212058_100020675968 [1,1,0,0,0,0|1,0,1]=4 2816 B13R0.66 C#CCNC(=O)C/C=C/CCCCC 240690a_100000212058_100020675968 [1,1,0,0,0,0|1,0,1]=4 2817 B13R0.66 C/C=C/CC(=O)C/C=C/CCCCC 1458a_100020675968_100102629194 [1,1,0,0,0,0|1,0,1]=4 2818 B13R0.66 C=CCCC(=O)C/C=C/CCCCC 1458a_100020675968_100000754431 [1,1,0,0,0,0|1,0,1]=4 2819 B13R0.66 C=CCNC(=O)C/C=C/CCCCC 1626a_100020586998_100020675968 [1,1,0,0,0,0|1,0,1]=4 2820 B13R0.66 C=CCNC(=O)C/C=C/CCCCC 240690a_100020586998_100020675968 [1,1,0,0,0,0|1,0,1]=4 2821 B13R0.66 CC#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000748600 [1,1,0,0,0,0|1,0,1]=4 2822 B13R0.66 CC=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000070051 [1,1,0,0,0,0|1,0,1]=4 2823 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [1,1,0,0,0,0|1,0,1]=4 2824 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [1,1,0,0,0,0|1,0,1]=4 2825 B13R0.66 CCCCC/C=C/CC(=O)CCC#N 1458a_100020675968_100011215226 [1,1,0,0,0,0|1,0,1]=4 2826 B13R0.66 CCCCC/C=C/CC(=O)CCCC 1458a_100020675968_100000210211 [1,1,0,0,0,0|1,0,0]=3 2827 B13R0.66 CCCCC/C=C/CC(=O)CCCF 1458a_100020675968_100011934791 [1,1,0,0,0,0|1,0,0]=3 2828 B13R0.66 CCCCC/C=C/CC(=O)CCCO 1458a_100020675968_100011215043 [1,1,0,0,0,0|1,0,0]=3 2829 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [1,1,0,0,0,0|1,0,0]=3 2830 B13R0.66 CCCCC/C=C/CC(=O)CCSC 1458a_100020675968_100000751147 [1,1,0,0,0,0|1,0,0]=3 2831 B13R0.66 CCCCC/C=C/CC(=O)NCC#N 1626a_100000734998_100020675968 [1,1,0,0,0,0|1,0,1]=4 2832 B13R0.66 CCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020675968 [1,1,0,0,0,0|1,0,0]=3 2833 B13R0.66 CCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020675968 [1,1,0,0,0,0|1,0,0]=3 2834 B13R0.66 CCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020675968 [1,1,0,0,0,0|1,0,0]=3 2835 B13R0.66 CCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020675968 [1,1,0,0,0,0|1,0,0]=3 2836 B13R0.66 CCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020675968 [1,1,0,0,0,0|1,0,0]=3 2837 B13R0.66 CCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020675968 [1,1,0,0,0,0|1,0,0]=3 2838 B13R0.66 CCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020675968 [1,1,0,0,0,0|1,0,0]=3 2839 B13R0.66 CCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020675968 [1,1,0,0,0,0|1,0,0]=3 2840 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [1,1,0,0,0,0|0,0,2]=4 2841 B13R0.66 CCCCCC=NNC(=O)COCC 4a_100000216846_100000737632 [1,1,0,0,0,0|2,0,0]=4 2842 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [1,1,0,0,0,0|1,0,1]=4 2843 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [1,1,0,0,0,0|1,0,1]=4 2844 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [1,1,0,0,0,0|1,0,1]=4 2845 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [1,1,0,0,0,0|1,0,1]=4 2846 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [1,1,0,0,0,0|1,0,1]=4 2847 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [1,1,0,0,0,0|1,0,1]=4 2848 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [1,1,0,0,0,0|1,0,1]=4 2849 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [1,1,0,0,0,0|1,0,1]=4 2850 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [1,1,0,0,0,0|0,0,1]=3 2851 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [1,1,0,0,0,0|0,1,1]=4 2852 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 2853 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 2854 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 2855 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 2856 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 2857 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 2858 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 2859 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 2860 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [1,1,0,0,0,0|1,0,1]=4 2861 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [1,1,0,0,0,0|1,0,1]=4 2862 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [1,1,0,0,0,0|1,0,1]=4 2863 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [1,1,0,0,0,0|1,0,1]=4 2864 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [1,1,0,0,0,0|1,0,1]=4 2865 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [1,1,0,0,0,0|1,0,1]=4 2866 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [1,1,0,0,0,0|1,0,1]=4 2867 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [1,1,0,0,0,0|1,0,1]=4 2868 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [1,1,0,0,0,0|1,0,1]=4 2869 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [1,1,0,0,0,0|1,0,1]=4 2870 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [1,1,0,0,0,0|1,0,1]=4 2871 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [1,1,0,0,0,0|1,0,1]=4 2872 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [1,1,0,0,0,0|2,0,0]=4 2873 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [1,1,0,0,0,0|2,0,0]=4 2874 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [1,1,0,0,0,0|2,0,0]=4 2875 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [1,1,0,0,0,0|1,0,1]=4 2876 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [1,1,0,0,0,0|1,0,1]=4 2877 B13R0.66 CCOCCOCCC(=O)COCC 1458a_100000211967_100011211534 [1,1,0,0,0,0|2,0,0]=4 2878 B13R0.87 CCNC(=O)CCNCCC(C)CC 2230a_100020591266_100000737597 [1,1,0,0,0,0|2,0,0]=4 2879 B13R0.87 CCNC(=O)CCOCCC(C)CC 7a_100011215188_100000737597 [1,1,0,0,0,0|2,0,0]=4 2880 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [1,1,0,0,0,0|0,0,2]=4 2881 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [1,1,0,0,0,0|0,0,2]=4 2882 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [1,1,0,0,0,0|1,0,1]=4 2883 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [1,1,0,0,0,0|1,0,1]=4 2884 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [1,1,0,0,0,0|1,0,1]=4 2885 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [1,1,0,0,0,0|1,0,1]=4 2886 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [1,1,0,0,0,0|1,0,1]=4 2887 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [1,1,0,0,0,0|1,0,1]=4 2888 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [1,1,0,0,0,0|1,0,1]=4 2889 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [1,1,0,0,0,0|1,0,1]=4 2890 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [1,1,0,0,0,0|1,0,1]=4 2891 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [1,1,0,0,0,0|1,0,1]=4 2892 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [1,1,0,0,0,0|1,0,1]=4 2893 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [1,1,0,0,0,0|1,0,1]=4 2894 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [1,1,0,0,0,0|1,0,1]=4 2895 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [1,1,0,0,0,0|1,0,1]=4 2896 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [1,1,0,0,0,0|1,0,1]=4 2897 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [1,1,0,0,0,0|1,0,1]=4 2898 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [1,1,0,0,0,0|1,0,1]=4 2899 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [1,1,0,0,0,0|1,0,1]=4 2900 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [1,1,0,0,0,0|1,0,0]=3 2901 B13R0.87 CCOC(=O)CCNCCC(C)CO 2230a_106354213184_100011206558 [1,1,0,0,0,0|2,0,0]=4 2902 B13R0.87 CCOC(=O)CCNCCC(C)CO 34a_106354213184_100000765890 [1,1,0,0,0,0|2,0,0]=4 2903 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [1,1,0,0,0,0|1,0,0]=3 2904 B13R0.87 CCOC(=O)CCOCCC(C)OC 7a_100000764861_100011206558 [1,1,0,0,0,0|2,0,0]=4 2905 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [1,1,0,0,0,0|1,0,1]=4 2906 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [1,1,0,0,0,0|1,0,1]=4 2907 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [1,1,0,0,0,0|1,0,1]=4 2908 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [1,1,0,0,0,0|1,0,1]=4 2909 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [1,1,0,0,0,0|1,0,1]=4 2910 B13R0.88 CCNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737597 [1,1,0,0,0,0|2,0,0]=4 2911 B13R0.88 CCNC(=O)CCNCCCC(C)C 34a_100025743525_100011214892 [1,1,0,0,0,0|2,0,0]=4 2912 B13R0.88 CCNC(=O)CCNCCCC(C)O 34a_100025743525_200000718107 [1,1,0,0,0,0|2,0,0]=4 2913 B13R0.88 CCNC(=O)CCOCCCC(C)C 7a_100000210774_100000737597 [1,1,0,0,0,0|2,0,0]=4 2914 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100000737597_100011214892 [1,1,0,0,0,0|2,0,0]=4 2915 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100011214892_100000737597 [1,1,0,0,0,0|2,0,0]=4 2916 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_100000737597_200000718107 [1,1,0,0,0,0|2,0,0]=4 2917 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_200000718107_100000737597 [1,1,0,0,0,0|2,0,0]=4 2918 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [1,1,0,0,0,0|0,0,2]=4 2919 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [1,1,0,0,0,0|0,0,2]=4 2920 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [1,1,0,0,0,0|0,0,2]=4 2921 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [1,1,0,0,0,0|1,0,1]=4 2922 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [1,1,0,0,0,0|1,0,1]=4 2923 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [1,1,0,0,0,0|1,0,1]=4 2924 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [1,1,0,0,0,0|1,0,1]=4 2925 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [1,1,0,0,0,0|1,0,1]=4 2926 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [1,1,0,0,0,0|1,0,1]=4 2927 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [1,1,0,0,0,0|1,0,1]=4 2928 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [1,1,0,0,0,0|1,0,1]=4 2929 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [1,1,0,0,0,0|1,0,1]=4 2930 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [1,1,0,0,0,0|1,0,1]=4 2931 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [1,1,0,0,0,0|1,0,1]=4 2932 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [1,1,0,0,0,0|1,0,1]=4 2933 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [1,1,0,0,0,0|1,0,1]=4 2934 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [1,1,0,0,0,0|1,0,1]=4 2935 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [1,1,0,0,0,0|1,0,1]=4 2936 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [1,1,0,0,0,0|1,0,1]=4 2937 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [1,1,0,0,0,0|1,0,1]=4 2938 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [1,1,0,0,0,0|1,0,1]=4 2939 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [1,1,0,0,0,0|1,0,1]=4 2940 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [1,1,0,0,0,0|1,0,1]=4 2941 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [1,1,0,0,0,0|1,0,1]=4 2942 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [1,1,0,0,0,0|1,0,1]=4 2943 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [1,1,0,0,0,0|1,0,1]=4 2944 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [1,1,0,0,0,0|1,0,1]=4 2945 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [1,1,0,0,0,0|1,0,1]=4 2946 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [1,1,0,0,0,0|1,0,1]=4 2947 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [1,1,0,0,0,0|1,0,1]=4 2948 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [1,1,0,0,0,0|1,0,1]=4 2949 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [1,1,0,0,0,0|1,0,1]=4 2950 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [1,1,0,0,0,0|1,0,1]=4 2951 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [1,1,0,0,0,0|1,0,1]=4 2952 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [1,1,0,0,0,0|1,0,1]=4 2953 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [1,1,0,0,0,0|1,0,1]=4 2954 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [1,1,0,0,0,0|1,0,1]=4 2955 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [1,1,0,0,0,0|1,0,0]=3 2956 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [1,1,0,0,0,0|1,0,0]=3 2957 B13R0.88 CCOC(=O)CCNCCCS(=O)C 2230a_200000753449_100011206558 [1,1,0,0,0,0|2,0,0]=4 2958 B13R0.88 CCOC(=O)CCNCCOC(C)C 2230a_100000701111_100011206558 [1,1,0,0,0,0|2,0,0]=4 2959 B13R0.88 CCOC(=O)CCNCCOC(C)C 34a_100000701111_100000765890 [1,1,0,0,0,0|2,0,0]=4 2960 B13R0.88 CCOC(=O)CCNCCSC(C)C 2230a_100000731138_100011206558 [1,1,0,0,0,0|2,0,0]=4 2961 B13R0.88 CCOC(=O)CCNCCSC(C)C 34a_100000731138_100000765890 [1,1,0,0,0,0|2,0,0]=4 2962 B13R0.88 CCOC(=O)CCOCCCC(=O)C 34a_100000759063_100000765890 [1,1,0,0,0,0|1,0,1]=4 2963 B13R0.88 CCOC(=O)CCOCCCC(=O)C 7a_100000759063_100011206558 [1,1,0,0,0,0|1,0,1]=4 2964 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [1,1,0,0,0,0|1,0,0]=3 2965 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [1,1,0,0,0,0|1,0,0]=3 2966 B13R0.88 CCOC(=O)CCOCCNC(C)C 34a_100000224655_100000765890 [1,1,0,0,0,0|2,0,0]=4 2967 B13R0.88 CCOC(=O)CCOCCOC(C)C 34a_100000211219_100000765890 [1,1,0,0,0,0|2,0,0]=4 2968 B13R0.88 CCOC(=O)CCOCCOC(C)C 7a_100000211219_100011206558 [1,1,0,0,0,0|2,0,0]=4 2969 B13R0.88 CCOC(=O)CCOCCSC(C)C 34a_200011212901_100000765890 [1,1,0,0,0,0|2,0,0]=4 2970 B13R0.88 CCOC(=O)CCOCCSC(C)C 7a_200011212901_100011206558 [1,1,0,0,0,0|2,0,0]=4 2971 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100000765890_100011215641 [1,1,0,0,0,0|1,0,1]=4 2972 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100011215641_100000765890 [1,1,0,0,0,0|1,0,1]=4 2973 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [1,1,0,0,0,0|1,0,0]=3 2974 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [1,1,0,0,0,0|1,0,0]=3 2975 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [1,1,0,0,0,0|1,0,0]=3 2976 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [1,1,0,0,0,0|1,0,0]=3 2977 B13R0.88 CCOC(=O)CCSCCCN(C)C 62a_100000765890_100000757444 [1,1,0,0,0,0|2,0,0]=4 2978 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000211751_100000765890 [1,1,0,0,0,0|2,0,0]=4 2979 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000765890_100000211751 [1,1,0,0,0,0|2,0,0]=4 2980 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000730970_100000765890 [1,1,0,0,0,0|2,0,0]=4 2981 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000765890_100000730970 [1,1,0,0,0,0|2,0,0]=4 2982 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [1,1,0,0,0,0|1,0,1]=4 2983 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [1,1,0,0,0,0|1,0,1]=4 2984 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [1,1,0,0,0,0|1,0,1]=4 2985 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [1,1,0,0,0,0|1,0,1]=4 2986 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [1,1,0,0,0,0|2,0,0]=4 2987 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [1,1,0,0,0,0|2,0,0]=4 2988 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [1,1,0,0,0,0|1,0,1]=4 2989 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [1,1,0,0,0,0|0,0,1]=3 2990 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [1,1,0,0,0,0|0,0,1]=3 2991 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [1,1,0,0,0,0|1,0,1]=4 2992 B13R0.175 CCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210183 [1,1,0,0,0,0|2,0,0]=4 2993 B13R0.175 CCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210183 [1,1,0,0,0,0|2,0,0]=4 2994 B13R0.175 CCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210183 [1,1,0,0,0,0|2,0,0]=4 2995 B13R0.175 CCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210183 [1,1,0,0,0,0|2,0,0]=4 2996 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [1,1,0,0,0,0|1,0,0]=3 2997 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [1,1,0,0,0,0|1,0,1]=4 2998 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [1,1,0,0,0,0|1,0,1]=4 2999 B13R0.175 CCCCC(C)NCCC(=O)NCC 2230a_100000126638_100000737597 [1,1,0,0,0,0|2,0,0]=4 3000 B13R0.175 CCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210087 [1,1,0,0,0,0|2,0,0]=4 3001 B13R0.175 CCCCC(C)NCCC(=O)NCC 34a_100025743525_200011215066 [1,1,0,0,0,0|2,0,0]=4 3002 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [1,1,0,0,0,0|1,0,0]=3 3003 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [1,1,0,0,0,0|2,0,0]=4 3004 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [1,1,0,0,0,0|1,0,0]=3 3005 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [1,1,0,0,0,0|1,0,0]=3 3006 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_100000737597_200011215066 [1,1,0,0,0,0|2,0,0]=4 3007 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_200011215066_100000737597 [1,1,0,0,0,0|2,0,0]=4 3008 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [1,1,0,0,0,0|1,0,0]=3 3009 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [1,1,0,0,0,0|1,0,0]=3 3010 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [1,1,0,0,0,0|2,0,0]=4 3011 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [1,1,0,0,0,0|1,0,1]=4 3012 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [1,1,0,0,0,0|1,0,1]=4 3013 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [1,1,0,0,0,0|1,0,1]=4 3014 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 3015 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 3016 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 3017 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 3018 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [1,1,0,0,0,0|1,0,1]=4 3019 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [1,1,0,0,0,0|1,0,1]=4 3020 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [1,1,0,0,0,0|1,0,1]=4 3021 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [1,1,0,0,0,0|1,0,1]=4 3022 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [1,1,0,0,0,0|1,0,1]=4 3023 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [1,1,0,0,0,0|1,0,1]=4 3024 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [1,1,0,0,0,0|1,0,1]=4 3025 B13R0.175 CCOC(=O)CCNC(=O)CCOC 188690a_100000746078_100000749529 [1,1,0,0,0,0|2,0,0]=4 3026 B13R0.175 CCOC(=O)CCNC(=O)CCSC 188690a_100000746078_100000174002 [1,1,0,0,0,0|2,0,0]=4 3027 B13R0.175 CCOC(=O)CCNC(=O)CSCC 188690a_100000746078_100000230394 [1,1,0,0,0,0|2,0,0]=4 3028 B13R0.175 CCOC(=O)CCOC(C)CCCCl 34a_200000718107_100000765890 [1,1,0,0,0,0|2,0,0]=4 3029 B13R0.175 CCOC(=O)CCOC(C)CCCCl 7a_200000718107_100011206558 [1,1,0,0,0,0|2,0,0]=4 3030 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [1,1,0,0,0,0|1,0,1]=4 3031 B13R0.175 CCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211967 [1,1,0,0,0,0|2,0,0]=4 3032 B13R0.175 CCOCC(C)OCCC(=O)OCC 34a_100000718985_100000765890 [1,1,0,0,0,0|2,0,0]=4 3033 B13R0.175 CCOCC(C)OCCC(=O)OCC 7a_100000718985_100011206558 [1,1,0,0,0,0|2,0,0]=4 3034 B13R0.193 C#CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000731252 [1,1,0,0,0,0|0,0,2]=4 3035 B13R0.193 C=CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000757094 [1,1,0,0,0,0|0,0,2]=4 3036 B13R0.193 CC/C=C\CC(=O)CCC(=O)OCC 1458a_100000183558_100103147603 [1,1,0,0,0,0|0,0,2]=4 3037 B13R0.193 CCC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100009813939 [1,1,0,0,0,0|0,0,2]=4 3038 B13R0.193 CCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000212230 [1,1,0,0,0,0|1,0,1]=4 3039 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [1,1,0,0,0,0|0,0,1]=3 3040 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [1,1,0,0,0,0|1,0,0]=3 3041 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [1,1,0,0,0,0|0,0,0]=2 3042 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [1,1,0,0,0,0|1,0,0]=3 3043 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [1,1,0,0,0,0|2,0,0]=4 3044 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [1,1,0,0,0,0|2,0,0]=4 3045 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [1,1,0,0,0,0|2,0,0]=4 3046 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [1,1,0,0,0,0|2,0,0]=4 3047 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [1,1,0,0,0,0|2,0,0]=4 3048 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [1,1,0,0,0,0|1,0,0]=3 3049 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [1,1,0,0,0,0|1,0,1]=4 3050 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [1,1,0,0,0,0|1,0,1]=4 3051 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [1,1,0,0,0,0|1,0,1]=4 3052 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [1,1,0,0,0,0|1,0,1]=4 3053 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [1,1,0,0,0,0|1,0,1]=4 3054 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [1,1,0,0,0,0|1,0,1]=4 3055 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [1,1,0,0,0,0|1,0,1]=4 3056 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [1,1,0,0,0,0|1,0,1]=4 3057 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [1,1,0,0,0,0|1,0,1]=4 3058 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [1,1,0,0,0,0|2,0,0]=4 3059 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [1,1,0,0,0,0|2,0,0]=4 3060 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [1,1,0,0,0,0|2,0,0]=4 3061 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [1,1,0,0,0,0|2,0,0]=4 3062 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [1,1,0,0,0,0|1,0,0]=3 3063 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [1,1,0,0,0,0|1,0,0]=3 3064 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [1,1,0,0,0,0|1,0,0]=3 3065 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [1,1,0,0,0,0|1,0,0]=3 3066 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 1626a_100000102301_100000210415 [1,1,0,0,0,0|1,0,1]=4 3067 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 240690a_100000102301_100000210415 [1,1,0,0,0,0|1,0,1]=4 3068 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [1,1,0,0,0,0|2,0,0]=4 3069 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [1,1,0,0,0,0|2,0,0]=4 3070 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [1,1,0,0,0,0|2,0,0]=4 3071 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [1,1,0,0,0,0|1,0,0]=3 3072 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [1,1,0,0,0,0|1,0,0]=3 3073 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [1,1,0,0,0,0|1,0,0]=3 3074 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [1,1,0,0,0,0|2,0,0]=4 3075 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [1,1,0,0,0,0|2,0,0]=4 3076 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [1,1,0,0,0,0|2,0,0]=4 3077 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [1,1,0,0,0,0|2,0,0]=4 3078 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [1,1,0,0,0,0|1,0,1]=4 3079 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [1,1,0,0,0,0|1,0,1]=4 3080 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [1,1,0,0,0,0|1,0,1]=4 3081 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [1,1,0,0,0,0|1,0,1]=4 3082 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [1,1,0,0,0,0|1,0,1]=4 3083 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [1,1,0,0,0,0|1,0,1]=4 3084 B13R0.193 CCCNN=C(C)CCC(=O)OCC 4a_100000740057_100011212338 [1,1,0,0,0,0|2,0,0]=4 3085 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [1,1,0,0,0,0|2,0,0]=4 3086 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [1,1,0,0,0,0|2,0,0]=4 3087 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [1,1,0,0,0,0|2,0,0]=4 3088 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [1,1,0,0,0,0|2,0,0]=4 3089 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [1,1,0,0,0,0|2,0,0]=4 3090 B13R0.193 CCNC(=O)CCC(=O)CCCCF 1458a_100000199579_100000729493 [1,1,0,0,0,0|2,0,0]=4 3091 B13R0.193 CCNC(=O)CCC(=O)CCCCO 1458a_100000199579_100000210776 [1,1,0,0,0,0|2,0,0]=4 3092 B13R0.193 CCNC(=O)CCC(=O)CCCOC 1458a_100000199579_100000740836 [1,1,0,0,0,0|2,0,0]=4 3093 B13R0.193 CCNC(=O)CCC(=O)CCOCC 1458a_100000199579_100011215890 [1,1,0,0,0,0|2,0,0]=4 3094 B13R0.193 CCNC(=O)CCC(=O)CCSCC 1458a_100000199579_100000757381 [1,1,0,0,0,0|2,0,0]=4 3095 B13R0.193 CCOC(=O)C=CC(=O)CCCCF 1458a_100000210415_100000729493 [1,1,0,0,0,0|1,0,1]=4 3096 B13R0.193 CCOC(=O)C=CC(=O)CCCCO 1458a_100000210415_100000210776 [1,1,0,0,0,0|1,0,1]=4 3097 B13R0.193 CCOC(=O)C=CC(=O)CCCOC 1458a_100000210415_100000740836 [1,1,0,0,0,0|1,0,1]=4 3098 B13R0.193 CCOC(=O)C=CC(=O)CCSCC 1458a_100000210415_100000757381 [1,1,0,0,0,0|1,0,1]=4 3099 B13R0.193 CCOC(=O)CCC(=O)CCCC#N 1458a_100000183558_100000211468 [1,1,0,0,0,0|1,0,1]=4 3100 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [1,1,0,0,0,0|1,0,0]=3 3101 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [1,1,0,0,0,0|1,0,0]=3 3102 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [1,1,0,0,0,0|1,0,0]=3 3103 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [1,1,0,0,0,0|1,0,0]=3 3104 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [1,1,0,0,0,0|2,0,0]=4 3105 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [1,1,0,0,0,0|2,0,0]=4 3106 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [1,1,0,0,0,0|2,0,0]=4 3107 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [1,1,0,0,0,0|2,0,0]=4 3108 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [1,1,0,0,0,0|2,0,0]=4 3109 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [1,1,0,0,0,0|2,0,0]=4 3110 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [1,1,0,0,0,0|2,0,0]=4 3111 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [1,1,0,0,0,0|2,0,0]=4 3112 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [1,1,0,0,0,0|2,0,0]=4 3113 B13R0.193 CCOC(=O)CCN(C)CCCCF 2230a_100000745921_100000729493 [1,1,0,0,0,0|2,0,0]=4 3114 B13R0.193 CCOC(=O)CCN(C)CCCCF 269982a_100000745921_100000729493 [1,1,0,0,0,0|2,0,0]=4 3115 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000717598_100011206558 [1,1,0,0,0,0|2,0,0]=4 3116 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000745921_100000210776 [1,1,0,0,0,0|2,0,0]=4 3117 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000717598_100011206558 [1,1,0,0,0,0|2,0,0]=4 3118 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000745921_100000210776 [1,1,0,0,0,0|2,0,0]=4 3119 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000224831_100011206558 [1,1,0,0,0,0|2,0,0]=4 3120 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000745921_100000740836 [1,1,0,0,0,0|2,0,0]=4 3121 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000224831_100011206558 [1,1,0,0,0,0|2,0,0]=4 3122 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000745921_100000740836 [1,1,0,0,0,0|2,0,0]=4 3123 B13R0.193 CCOC(=O)CCN(C)CCSCC 2230a_100000745921_100000757381 [1,1,0,0,0,0|2,0,0]=4 3124 B13R0.193 CCOC(=O)CCN(C)CCSCC 269982a_100000745921_100000757381 [1,1,0,0,0,0|2,0,0]=4 3125 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [1,1,0,0,0,0|2,0,0]=4 3126 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [1,1,0,0,0,0|2,0,0]=4 3127 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [1,1,0,0,0,0|2,0,0]=4 3128 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [1,1,0,0,0,0|2,0,0]=4 3129 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [1,1,0,0,0,0|2,0,0]=4 3130 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [1,1,0,0,0,0|2,0,0]=4 3131 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [1,1,0,0,0,0|2,0,0]=4 3132 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [1,1,0,0,0,0|2,0,0]=4 3133 B13R0.193 CCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215890 [1,1,0,0,0,0|1,0,1]=4 3134 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [1,1,0,0,0,0|1,0,0]=3 3135 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [1,1,0,0,0,0|2,0,0]=4 3136 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [1,1,0,0,0,0|2,0,0]=4 3137 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [1,1,0,0,0,0|2,0,0]=4 3138 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [1,1,0,0,0,0|2,0,0]=4 3139 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [1,1,0,0,0,0|1,0,1]=4 3140 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [1,1,0,0,0,0|1,0,1]=4 3141 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [1,1,0,0,0,0|1,0,1]=4 3142 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [1,1,0,0,0,0|1,0,1]=4 3143 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [1,1,0,0,0,0|1,0,1]=4 3144 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [1,1,0,0,0,0|1,0,1]=4 3145 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [1,1,0,0,0,0|1,0,1]=4 3146 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [1,1,0,0,0,0|1,0,1]=4 3147 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [1,1,0,0,0,0|1,0,1]=4 3148 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [1,1,0,0,0,0|1,0,1]=4 3149 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [1,1,0,0,0,0|1,0,1]=4 3150 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [1,1,0,0,0,0|1,0,1]=4 3151 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [1,1,0,0,0,0|1,0,1]=4 3152 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [1,1,0,0,0,0|1,0,1]=4 3153 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [1,1,0,0,0,0|1,0,1]=4 3154 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [1,1,0,0,0,0|1,0,1]=4 3155 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [1,1,0,0,0,0|1,0,1]=4 3156 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [1,1,0,0,0,0|1,0,1]=4 3157 B13R0.330 CCCCC=CC(=O)CC(=O)CCC 1458a_100016266645_100000747444 [1,1,0,0,0,0|1,0,1]=4 3158 B13R0.330 CCCCC=CC(=O)CC(=O)NCC 1458a_100016266645_100000183381 [1,1,0,0,0,0|1,0,1]=4 3159 B13R0.330 CCCCC=CC(=O)CC(=O)OCC 1458a_100016266645_100000188475 [1,1,0,0,0,0|0,0,1]=3 3160 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [1,1,0,0,0,0|1,0,1]=4 3161 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [1,1,0,0,0,0|1,0,1]=4 3162 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [1,1,0,0,0,0|0,0,1]=3 3163 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [1,1,0,0,0,0|0,0,1]=3 3164 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [1,1,0,0,0,0|1,0,1]=4 3165 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [1,1,0,0,0,0|1,0,1]=4 3166 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [1,1,0,0,0,0|1,0,1]=4 3167 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [1,1,0,0,0,0|2,0,0]=4 3168 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [1,1,0,0,0,0|1,0,0]=3 3169 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [1,1,0,0,0,0|1,0,0]=3 3170 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [1,1,0,0,0,0|1,0,0]=3 3171 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [1,1,0,0,0,0|1,0,0]=3 3172 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [1,1,0,0,0,0|1,0,0]=3 3173 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [1,1,0,0,0,0|1,0,0]=3 3174 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [1,1,0,0,0,0|2,0,0]=4 3175 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [1,1,0,0,0,0|2,0,0]=4 3176 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [1,1,0,0,0,0|1,0,1]=4 3177 B13R0.330 CCCCNNC(=O)CC(=O)OCC 22a_100025702795_100000243816 [1,1,0,0,0,0|2,0,0]=4 3178 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [1,1,0,0,0,0|1,0,1]=4 3179 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [1,1,0,0,0,0|1,0,1]=4 3180 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [1,1,0,0,0,0|1,0,1]=4 3181 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [1,1,0,0,0,0|1,0,1]=4 3182 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [1,1,0,0,0,0|1,0,1]=4 3183 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [1,1,0,0,0,0|1,0,1]=4 3184 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [1,1,0,0,0,0|1,0,1]=4 3185 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [1,1,0,0,0,0|1,0,1]=4 3186 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [1,1,0,0,0,0|1,0,1]=4 3187 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [1,1,0,0,0,0|1,0,1]=4 3188 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [1,1,0,0,0,0|1,0,1]=4 3189 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [1,1,0,0,0,0|1,0,1]=4 3190 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [1,1,0,0,0,0|1,0,1]=4 3191 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [1,1,0,0,0,0|1,0,1]=4 3192 B13R0.330 CCOC(=O)CC(=O)NCCCCO 240690a_100000750430_100000243816 [1,1,0,0,0,0|2,0,0]=4 3193 B13R0.330 CCOC(=O)CC(=O)NCCCOC 240690a_100150723488_100000243816 [1,1,0,0,0,0|2,0,0]=4 3194 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [1,1,0,0,0,0|2,0,0]=4 3195 B13R0.330 CCOC(=O)CC(=O)NCCSCC 240690a_100000106463_100000243816 [1,1,0,0,0,0|2,0,0]=4 3196 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [1,1,0,0,0,0|2,0,0]=4 3197 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [1,1,0,0,0,0|2,0,0]=4 3198 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [1,1,0,0,0,0|2,0,0]=4 3199 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [1,1,0,0,0,0|2,0,0]=4 3200 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [1,1,0,0,0,0|2,0,0]=4 3201 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [1,1,0,0,0,0|2,0,0]=4 3202 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [1,1,0,0,0,0|2,0,0]=4 3203 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [1,1,0,0,0,0|2,0,0]=4 3204 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [1,1,0,0,0,0|2,0,0]=4 3205 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [1,1,0,0,0,0|2,0,0]=4 3206 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [1,1,0,0,0,0|2,0,0]=4 3207 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [1,1,0,0,0,0|2,0,0]=4 3208 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [1,1,0,0,0,0|2,0,0]=4 3209 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [1,1,0,0,0,0|2,0,0]=4 3210 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [1,1,0,0,0,0|2,0,0]=4 3211 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [1,1,0,0,0,0|2,0,0]=4 3212 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [1,1,0,0,0,0|2,0,0]=4 3213 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [1,1,0,0,0,0|2,0,0]=4 3214 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [1,1,0,0,0,0|2,0,0]=4 3215 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [1,1,0,0,0,0|1,0,1]=4 3216 B13R0.330 CCOCCNC(=O)CC(=O)OCC 240690a_100011200944_100000243816 [1,1,0,0,0,0|2,0,0]=4 3217 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [1,1,0,0,0,0|2,0,0]=4 3218 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [1,1,0,0,0,0|2,0,0]=4 3219 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [1,1,0,0,0,0|2,0,0]=4 3220 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [1,1,0,0,0,0|2,0,0]=4 3221 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [1,1,0,0,0,0|2,0,0]=4 3222 B13R0.335 C=C(C)CC(=O)C/C=C/CCCCC 1458a_100020675968_100000748629 [1,1,0,0,0,0|1,0,1]=4 3223 B13R0.335 CC(C)OC(=O)CCNCCCCO 2230a_100000750430_100000760027 [1,1,0,0,0,0|2,0,0]=4 3224 B13R0.335 CC(C)OC(=O)CCOCCCCCl 7a_100000210776_100000760027 [1,1,0,0,0,0|2,0,0]=4 3225 B13R0.335 CC(C)OC(=O)CCOCCCCF 7a_100011995726_100000760027 [1,1,0,0,0,0|2,0,0]=4 3226 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000729493_100000760027 [1,1,0,0,0,0|2,0,0]=4 3227 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000760027_100000729493 [1,1,0,0,0,0|2,0,0]=4 3228 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000210776_100000760027 [1,1,0,0,0,0|2,0,0]=4 3229 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000760027_100000210776 [1,1,0,0,0,0|2,0,0]=4 3230 B13R0.335 CCCCC/C=C/CC(=O)CC(C)C 1458a_100020675968_100000210624 [1,1,0,0,0,0|1,0,0]=3 3231 B13R0.335 CCCCC/C=C/CC(=O)CC(C)O 1458a_100020675968_100011218427 [1,1,0,0,0,0|1,0,0]=3 3232 B13R0.335 CCCCC/C=C/CC(=O)CC(F)F 1458a_100020675968_100011934356 [1,1,0,0,0,0|2,0,0]=4 3233 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020675968 [1,1,0,0,0,0|1,0,0]=3 3234 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020675968 [1,1,0,0,0,0|1,0,0]=3 3235 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020675968 [1,1,0,0,0,0|1,0,0]=3 3236 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [1,1,0,0,0,0|1,0,1]=4 3237 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [1,1,0,0,0,0|1,0,1]=4 3238 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [1,1,0,0,0,0|1,0,1]=4 3239 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [1,1,0,0,0,0|1,0,1]=4 3240 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3241 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3242 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3243 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3244 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [1,1,0,0,0,0|1,0,1]=4 3245 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [1,1,0,0,0,0|1,0,1]=4 3246 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [1,1,0,0,0,0|1,0,1]=4 3247 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [1,1,0,0,0,0|1,0,1]=4 3248 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [1,1,0,0,0,0|1,0,1]=4 3249 B13R0.335 CCCCCNCCC(=O)NC(C)C 2230a_100000209983_100000737564 [1,1,0,0,0,0|2,0,0]=4 3250 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [1,1,0,0,0,0|1,0,0]=3 3251 B13R0.335 CCCCCOCCC(=O)NC(C)C 7a_100000210253_100000737564 [1,1,0,0,0,0|2,0,0]=4 3252 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [1,1,0,0,0,0|1,0,0]=3 3253 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000210326_100000737564 [1,1,0,0,0,0|2,0,0]=4 3254 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210326 [1,1,0,0,0,0|2,0,0]=4 3255 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [1,1,0,0,0,0|1,0,0]=3 3256 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [1,1,0,0,0,0|1,0,0]=3 3257 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [1,1,0,0,0,0|2,0,0]=4 3258 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [1,1,0,0,0,0|2,0,0]=4 3259 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [1,1,0,0,0,0|1,0,1]=4 3260 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [1,1,0,0,0,0|1,0,1]=4 3261 B13R0.335 CCOCCNCCC(=O)OC(C)C 2230a_102516460346_100000760027 [1,1,0,0,0,0|2,0,0]=4 3262 B13R0.335 CCOCCOCCC(=O)OC(C)C 7a_100000210136_100000760027 [1,1,0,0,0,0|2,0,0]=4 3263 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000210147_100000760027 [1,1,0,0,0,0|2,0,0]=4 3264 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215890 [1,1,0,0,0,0|2,0,0]=4 3265 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [1,1,0,0,0,0|1,0,1]=4 3266 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [1,1,0,0,0,0|1,0,1]=4 3267 B13R0.335 CCSCCNCCC(=O)OC(C)C 2230a_100000106463_100000760027 [1,1,0,0,0,0|2,0,0]=4 3268 B13R0.335 CCSCCOCCC(=O)OC(C)C 7a_100000212035_100000760027 [1,1,0,0,0,0|2,0,0]=4 3269 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000757381_100000760027 [1,1,0,0,0,0|2,0,0]=4 3270 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000760027_100000757381 [1,1,0,0,0,0|2,0,0]=4 3271 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000709357_100000760027 [1,1,0,0,0,0|2,0,0]=4 3272 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000760027_100000709357 [1,1,0,0,0,0|2,0,0]=4 3273 B13R0.335 CSCCCNCCC(=O)OC(C)C 2230a_100000749238_100000760027 [1,1,0,0,0,0|2,0,0]=4 3274 B13R0.335 CSCCCOCCC(=O)OC(C)C 7a_100000690336_100000760027 [1,1,0,0,0,0|2,0,0]=4 3275 B13R0.340 CCCCC/C=C/CC(=O)C(C)CC 1458a_100020675968_100000758301 [1,1,0,0,0,0|1,0,0]=3 3276 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020675968 [1,1,0,0,0,0|1,0,0]=3 3277 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020675968 [1,1,0,0,0,0|1,0,0]=3 3278 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020675968 [1,1,0,0,0,0|1,0,0]=3 3279 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [1,1,0,0,0,0|1,0,1]=4 3280 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [1,1,0,0,0,0|1,0,1]=4 3281 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [1,1,0,0,0,0|1,0,1]=4 3282 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3283 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3284 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3285 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3286 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [1,1,0,0,0,0|0,0,2]=4 3287 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [1,1,0,0,0,0|0,0,2]=4 3288 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [1,1,0,0,0,0|1,0,1]=4 3289 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [1,1,0,0,0,0|1,0,1]=4 3290 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [1,1,0,0,0,0|1,0,1]=4 3291 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [1,1,0,0,0,0|1,0,1]=4 3292 B13R0.367 CCCC(C)CNCCC(=O)NCC 270004a_100025743525_100000243154 [1,1,0,0,0,0|2,0,0]=4 3293 B13R0.367 CCCC(C)CNCCC(=O)NCC 34a_100025743525_100011216630 [1,1,0,0,0,0|2,0,0]=4 3294 B13R0.367 CCCC(C)COCCC(=O)NCC 7a_100000688023_100000737597 [1,1,0,0,0,0|2,0,0]=4 3295 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [1,1,0,0,0,0|1,0,0]=3 3296 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [1,1,0,0,0,0|1,0,0]=3 3297 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100000737597_100011216630 [1,1,0,0,0,0|2,0,0]=4 3298 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100011216630_100000737597 [1,1,0,0,0,0|2,0,0]=4 3299 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [1,1,0,0,0,0|1,0,0]=3 3300 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [1,1,0,0,0,0|1,0,0]=3 3301 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [1,1,0,0,0,0|2,0,0]=4 3302 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [1,1,0,0,0,0|1,0,1]=4 3303 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [1,1,0,0,0,0|1,0,1]=4 3304 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [1,1,0,0,0,0|1,0,1]=4 3305 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [1,1,0,0,0,0|1,0,1]=4 3306 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [1,1,0,0,0,0|1,0,1]=4 3307 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [1,1,0,0,0,0|1,0,1]=4 3308 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [1,1,0,0,0,0|1,0,1]=4 3309 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [1,1,0,0,0,0|1,0,1]=4 3310 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [1,1,0,0,0,0|1,0,1]=4 3311 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [1,1,0,0,0,0|1,0,0]=3 3312 B13R0.367 CCOC(=O)CCNCC(O)COC 2230a_100000756049_100011206558 [1,1,0,0,0,0|2,0,0]=4 3313 B13R0.367 CCOC(=O)CCNCC(O)COC 34a_100000756049_100000765890 [1,1,0,0,0,0|2,0,0]=4 3314 B13R0.367 CCOC(=O)CCOCC(C)CCN 34a_106354213184_100000765890 [1,1,0,0,0,0|2,0,0]=4 3315 B13R0.367 CCOC(=O)CCOCC(N)COC 34a_100000724102_100000765890 [1,1,0,0,0,0|2,0,0]=4 3316 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100000765890_100011215053 [1,1,0,0,0,0|2,0,0]=4 3317 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100011215053_100000765890 [1,1,0,0,0,0|2,0,0]=4 3318 B13R0.54 CC/C=C/CC/C=C/COCC(C)C 34a_100016264143_100000210624 [1,1,0,0,0,0|2,0,0]=4 3319 B13R0.54 CC/C=C/CC/C=C/COCC(C)C 7a_100016264143_100000210760 [1,1,0,0,0,0|2,0,0]=4 3320 B13R0.54 CC/C=C/CC/C=C/COCC(C)O 34a_100016264143_100011218427 [1,1,0,0,0,0|2,0,0]=4 3321 B13R0.54 CC/C=C/CC/C=C/COCC(C)O 7a_100016264143_100011218427 [1,1,0,0,0,0|2,0,0]=4 3322 B13R0.54 CC/C=C/CC/C=C/COC[C@@H](C)O 34a_100016264143_100009817552 [1,1,0,0,0,0|2,0,0]=4 3323 B13R0.54 CC/C=C/CC/C=C/COC[C@@H](C)O 7a_100016264143_100009817552 [1,1,0,0,0,0|2,0,0]=4 3324 B13R0.54 CCCCC/C=C/COCOC(C)C 34a_100016258190_100000709892 [1,1,0,0,0,0|1,0,1]=4 3325 B13R0.54 CCCCC/C=C\CCCOC(C)C 34a_100020655193_100000210206 [1,1,0,0,0,0|0,0,1]=3 3326 B13R0.54 CCCCC/C=C\CCCOC(C)C 7a_100020655193_100000210206 [1,1,0,0,0,0|0,0,1]=3 3327 B13R0.54 CCCCC/C=C\CCOCC(C)C 34a_100016277358_100000210624 [1,1,0,0,0,0|2,0,0]=4 3328 B13R0.54 CCCCC/C=C\CCOCC(C)C 7a_100016277358_100000210760 [1,1,0,0,0,0|2,0,0]=4 3329 B13R0.54 CCCCC/C=C\CCOCC(C)O 34a_100016277358_100011218427 [1,1,0,0,0,0|2,0,0]=4 3330 B13R0.54 CCCCC/C=C\CCOCC(C)O 7a_100016277358_100011218427 [1,1,0,0,0,0|2,0,0]=4 3331 B13R0.54 CCCCC/C=C\CCOC[C@@H](C)O 34a_100016277358_100009817552 [1,1,0,0,0,0|2,0,0]=4 3332 B13R0.54 CCCCC/C=C\CCOC[C@@H](C)O 7a_100016277358_100009817552 [1,1,0,0,0,0|2,0,0]=4 3333 B13R0.147 CC/C=C/CC/C=C/COC(C)CC 34a_100016264143_100011215416 [1,1,0,0,0,0|2,0,0]=4 3334 B13R0.147 CC/C=C/CC/C=C/COC(C)CC 7a_100016264143_100000758301 [1,1,0,0,0,0|2,0,0]=4 3335 B13R0.147 CCCCC/C=C\CCOC(C)CC 34a_100016277358_100011215416 [1,1,0,0,0,0|2,0,0]=4 3336 B13R0.147 CCCCC/C=C\CCOC(C)CC 7a_100016277358_100000758301 [1,1,0,0,0,0|2,0,0]=4 3337 B13R0.165 CC/C=C\CCC(=O)C=CCCCC 1458a_100016266645_100015370543 [1,1,0,0,0,0|1,0,1]=4 3338 B13R0.165 CC/C=C\CCC(=O)CCCCCC 1458a_100102632555_100015370543 [1,1,0,0,0,0|1,0,1]=4 3339 B13R0.165 CCCCC=CC(=O)CCCOCC 1458a_100016266645_100012232248 [1,1,0,0,0,0|0,0,2]=4 3340 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [1,1,0,0,0,0|0,0,2]=4 3341 B13R0.336 C#CCOCCC/C=C\CCCCC 34a_100020655193_100000184674 [1,1,0,0,0,0|0,0,2]=4 3342 B13R0.336 C#CCOCCC/C=C\CCCCC 7a_100020655193_100000038162 [1,1,0,0,0,0|0,0,2]=4 3343 B13R0.336 C=CCOCCC/C=C\CCCCC 34a_100020655193_100015514636 [1,1,0,0,0,0|0,0,2]=4 3344 B13R0.336 C=CCOCCC/C=C\CCCCC 7a_100020655193_100015514636 [1,1,0,0,0,0|0,0,2]=4 3345 B13R0.336 CC/C=C/CC/C=C/COCCCC 34a_100016264143_100000210210 [1,1,0,0,0,0|1,0,0]=3 3346 B13R0.336 CC/C=C/CC/C=C/COCCCC 7a_100016264143_100000210211 [1,1,0,0,0,0|1,0,0]=3 3347 B13R0.336 CC/C=C/CC/C=C/COCCCF 34a_100016264143_100011934791 [1,1,0,0,0,0|2,0,0]=4 3348 B13R0.336 CC/C=C/CC/C=C/COCCCF 7a_100016264143_100011934791 [1,1,0,0,0,0|2,0,0]=4 3349 B13R0.336 CC/C=C/CC/C=C/COCCCO 34a_100016264143_100000230001 [1,1,0,0,0,0|2,0,0]=4 3350 B13R0.336 CC/C=C/CC/C=C/COCCCO 7a_100016264143_100011215043 [1,1,0,0,0,0|2,0,0]=4 3351 B13R0.336 CC/C=C/CC/C=C/COCCOC 34a_100016264143_100011201679 [1,1,0,0,0,0|2,0,0]=4 3352 B13R0.336 CC/C=C/CC/C=C/COCCOC 7a_100016264143_100000233755 [1,1,0,0,0,0|2,0,0]=4 3353 B13R0.336 CC/C=C/CC/C=C/COCCSC 34a_100016264143_100000212216 [1,1,0,0,0,0|2,0,0]=4 3354 B13R0.336 CC/C=C/CC/C=C/COCCSC 7a_100016264143_100000212216 [1,1,0,0,0,0|2,0,0]=4 3355 B13R0.336 CC/C=C\CCC=NNCCCCC 4a_100000694160_100016279218 [1,1,0,0,0,0|2,0,0]=4 3356 B13R0.336 CC/C=C\COC/C=C/CCCCC 34a_100016258190_100103147603 [1,1,0,0,0,0|1,0,0]=3 3357 B13R0.336 CC/C=C\COC/C=C/CCCCC 7a_100016258190_100103147603 [1,1,0,0,0,0|1,0,0]=3 3358 B13R0.336 CCC#CCOC/C=C/CCCCC 34a_100016258190_100009813939 [1,1,0,0,0,0|1,0,1]=4 3359 B13R0.336 CCC#CCOC/C=C/CCCCC 7a_100016258190_100009813939 [1,1,0,0,0,0|1,0,1]=4 3360 B13R0.336 CCCCC/C=C/CCC=NNCC 4a_100000756455_100020587594 [1,1,0,0,0,0|1,0,0]=3 3361 B13R0.336 CCCCC/C=C/COCCCCC 34a_100016258190_100000718602 [1,1,0,0,0,0|1,0,1]=4 3362 B13R0.336 CCCCC/C=C/COCCCCC 7a_100016258190_100000210326 [1,1,0,0,0,0|1,0,1]=4 3363 B13R0.336 CCCCC/C=C/COCCOCC 34a_100016258190_100000210147 [1,1,0,0,0,0|0,0,1]=3 3364 B13R0.336 CCCCC/C=C/COCCOCC 7a_100016258190_100011215890 [1,1,0,0,0,0|0,0,1]=3 3365 B13R0.336 CCCCC/C=C/COCCSCC 34a_100016258190_100000757381 [1,1,0,0,0,0|0,1,1]=4 3366 B13R0.336 CCCCC/C=C/COCCSCC 7a_100016258190_100000757381 [1,1,0,0,0,0|0,1,1]=4 3367 B13R0.336 CCCCC/C=C\CCCOCC#N 7a_100020655193_100011215382 [1,1,0,0,0,0|0,0,2]=4 3368 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [1,1,0,0,0,0|0,0,2]=4 3369 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [1,1,0,0,0,0|0,0,2]=4 3370 B13R0.336 CCCCC/C=C\CCCOCCC 34a_100020655193_100000210303 [1,1,0,0,0,0|0,0,1]=3 3371 B13R0.336 CCCCC/C=C\CCCOCCC 7a_100020655193_100000210303 [1,1,0,0,0,0|0,0,1]=3 3372 B13R0.336 CCCCC/C=C\CCCOCCF 34a_100020655193_100011217306 [1,1,0,0,0,0|0,0,1]=3 3373 B13R0.336 CCCCC/C=C\CCCOCCF 7a_100020655193_100011217306 [1,1,0,0,0,0|0,0,1]=3 3374 B13R0.336 CCCCC/C=C\CCCOCCO 34a_100020655193_100000211926 [1,1,0,0,0,0|0,0,1]=3 3375 B13R0.336 CCCCC/C=C\CCCOCCO 7a_100020655193_100000211926 [1,1,0,0,0,0|0,0,1]=3 3376 B13R0.336 CCCCC/C=C\CCCOCSC 34a_100020655193_100011218213 [1,1,0,0,0,0|0,0,1]=3 3377 B13R0.336 CCCCC/C=C\CCOCCCC 34a_100016277358_100000210210 [1,1,0,0,0,0|1,0,1]=4 3378 B13R0.336 CCCCC/C=C\CCOCCCC 7a_100016277358_100000210211 [1,1,0,0,0,0|1,0,1]=4 3379 B13R0.336 CCCCC/C=C\CCOCCCF 34a_100016277358_100011934791 [1,1,0,0,0,0|2,0,0]=4 3380 B13R0.336 CCCCC/C=C\CCOCCCF 7a_100016277358_100011934791 [1,1,0,0,0,0|2,0,0]=4 3381 B13R0.336 CCCCC/C=C\CCOCCCO 34a_100016277358_100000230001 [1,1,0,0,0,0|2,0,0]=4 3382 B13R0.336 CCCCC/C=C\CCOCCCO 7a_100016277358_100011215043 [1,1,0,0,0,0|2,0,0]=4 3383 B13R0.336 CCCCC/C=C\CCOCCOC 34a_100016277358_100011201679 [1,1,0,0,0,0|2,0,0]=4 3384 B13R0.336 CCCCC/C=C\CCOCCOC 7a_100016277358_100000233755 [1,1,0,0,0,0|2,0,0]=4 3385 B13R0.336 CCCCC/C=C\CCOCCSC 34a_100016277358_100000212216 [1,1,0,0,0,0|2,0,0]=4 3386 B13R0.336 CCCCC/C=C\CCOCCSC 7a_100016277358_100000212216 [1,1,0,0,0,0|2,0,0]=4 3387 B13R0.336 CCCCCC/C=C/COCCCC 34a_200016276170_100000210210 [1,1,0,0,0,0|1,0,1]=4 3388 B13R0.336 CCCCCC/C=C/COCCCC 7a_200016276170_100000210211 [1,1,0,0,0,0|1,0,1]=4 3389 B13R0.338 CC/C=C\CC(=O)C=CCCCCC 1458a_100016263427_100103147603 [1,1,0,0,0,0|1,0,1]=4 3390 B13R0.338 CCCCCC(=O)NCCCOCC 11a_100000210961_100000212188 [1,1,0,0,0,0|1,0,1]=4 3391 B13R0.338 CCCCCC(=O)NCCCOCC 1626a_100000210961_100000212188 [1,1,0,0,0,0|1,0,1]=4 3392 B13R0.338 CCCCCC(=O)NCCCOCC 240690a_100000210961_100000212188 [1,1,0,0,0,0|1,0,1]=4 3393 B13R0.338 CCCCCC(=O)NCCCOCC 527a_100000210961_100000212188 [1,1,0,0,0,0|1,0,1]=4 3394 B13R0.338 CCCCCC=CC(=O)CCOCC 1458a_100016263427_100011215890 [1,1,0,0,0,0|0,0,2]=4 3395 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [1,1,0,0,0,0|1,0,1]=4 3396 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [1,1,0,0,0,0|1,0,1]=4 3397 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [1,1,0,0,0,0|1,0,1]=4 3398 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [1,1,0,0,0,0|1,0,1]=4 3399 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [1,1,0,0,0,0|1,0,1]=4 3400 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [1,1,0,0,0,0|1,0,1]=4 3401 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [1,1,0,0,0,0|1,0,1]=4 3402 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [1,1,0,0,0,0|1,0,1]=4 3403 B13R0.150 CCCCC/C=C/CCC(=O)C(C)C 1458a_200015255902_100000210206 [1,1,0,0,0,0|0,0,0]=2 3404 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 11a_100102631434_200015255902 [1,1,0,0,0,0|1,0,0]=3 3405 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 1626a_100102631434_200015255902 [1,1,0,0,0,0|1,0,0]=3 3406 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 240690a_100102631434_200015255902 [1,1,0,0,0,0|1,0,0]=3 3407 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 527a_100102631434_200015255902 [1,1,0,0,0,0|1,0,0]=3 3408 B13R0.150 CCCCCC/C=C/CC(=O)C(C)C 1458a_100020681715_100000210206 [1,1,0,0,0,0|0,0,2]=4 3409 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [1,1,0,0,0,0|0,0,2]=4 3410 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [1,1,0,0,0,0|0,0,2]=4 3411 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [1,1,0,0,0,0|0,0,2]=4 3412 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [1,1,0,0,0,0|0,0,2]=4 3413 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [1,1,0,0,0,0|0,0,2]=4 3414 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [1,1,0,0,0,0|1,0,1]=4 3415 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [1,1,0,0,0,0|0,0,1]=3 3416 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [1,1,0,0,0,0|0,0,1]=3 3417 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [1,1,0,0,0,0|1,0,1]=4 3418 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [1,1,0,0,0,0|1,0,1]=4 3419 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [1,1,0,0,0,0|1,0,1]=4 3420 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [1,1,0,0,0,0|1,0,1]=4 3421 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [1,1,0,0,0,0|1,0,1]=4 3422 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [1,1,0,0,0,0|1,0,1]=4 3423 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [1,1,0,0,0,0|2,0,0]=4 3424 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [1,1,0,0,0,0|2,0,0]=4 3425 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [1,1,0,0,0,0|2,0,0]=4 3426 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [1,1,0,0,0,0|1,0,0]=3 3427 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [1,1,0,0,0,0|1,0,1]=4 3428 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [1,1,0,0,0,0|1,0,1]=4 3429 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [1,1,0,0,0,0|1,0,1]=4 3430 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [1,1,0,0,0,0|1,0,1]=4 3431 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [1,1,0,0,0,0|1,0,1]=4 3432 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [1,1,0,0,0,0|1,0,1]=4 3433 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [1,1,0,0,0,0|1,0,1]=4 3434 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [1,1,0,0,0,0|1,0,1]=4 3435 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 3436 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 3437 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 3438 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 3439 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [1,1,0,0,0,0|1,0,1]=4 3440 B13R0.194 CCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000745993 [1,1,0,0,0,0|2,0,0]=4 3441 B13R0.194 CCCOCC(=O)NCCC(=O)OC 34a_100000210258_100000230212 [1,1,0,0,0,0|2,0,0]=4 3442 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [1,1,0,0,0,0|1,0,1]=4 3443 B13R0.194 CCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000217233 [1,1,0,0,0,0|2,0,0]=4 3444 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000210303_100000230212 [1,1,0,0,0,0|2,0,0]=4 3445 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210303 [1,1,0,0,0,0|2,0,0]=4 3446 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [1,1,0,0,0,0|1,0,1]=4 3447 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [1,1,0,0,0,0|1,0,1]=4 3448 B13R0.194 CCOCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749530 [1,1,0,0,0,0|2,0,0]=4 3449 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [1,1,0,0,0,0|1,0,1]=4 3450 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [1,1,0,0,0,0|1,0,1]=4 3451 B13R0.194 CCSCCC(=O)NCCC(=O)OC 188690a_100000683876_100000230768 [1,1,0,0,0,0|2,0,0]=4 3452 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [1,1,0,0,0,0|1,0,1]=4 3453 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [1,1,0,0,0,0|1,0,1]=4 3454 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [1,1,0,0,0,0|1,0,1]=4 3455 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [1,1,0,0,0,0|1,0,1]=4 3456 B13R0.194 COC(=O)CCNC(=O)CCCCO 188690a_100000683876_100000695505 [1,1,0,0,0,0|2,0,0]=4 3457 B13R0.194 COC(=O)CCNC(=O)CCCSC 188690a_100000683876_100000173376 [1,1,0,0,0,0|2,0,0]=4 3458 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [1,1,0,0,0,0|1,0,1]=4 3459 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [1,1,0,0,0,0|1,0,1]=4 3460 B13R0.194 COCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000741012 [1,1,0,0,0,0|2,0,0]=4 3461 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [1,1,0,0,0,0|1,0,1]=4 3462 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [1,1,0,0,0,0|1,0,1]=4 3463 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [1,1,0,0,0,0|1,0,1]=4 3464 B13R0.201 CCC(O)CNN=CCCC(=O)OC 4a_100015206393_100012047195 [1,1,0,0,0,0|2,0,0]=4 3465 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [1,1,0,0,0,0|1,0,1]=4 3466 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [1,1,0,0,0,0|1,0,1]=4 3467 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [1,1,0,0,0,0|1,0,1]=4 3468 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [1,1,0,0,0,0|1,0,1]=4 3469 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [1,1,0,0,0,0|1,0,1]=4 3470 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [1,1,0,0,0,0|1,0,1]=4 3471 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [1,1,0,0,0,0|1,0,1]=4 3472 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [1,1,0,0,0,0|1,0,1]=4 3473 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [1,1,0,0,0,0|1,0,1]=4 3474 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [1,1,0,0,0,0|1,0,1]=4 3475 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [1,1,0,0,0,0|1,0,1]=4 3476 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [1,1,0,0,0,0|1,0,1]=4 3477 B13R0.274 CCCCCC=CC(=O)CC(=O)CC 1458a_100016263427_100000747405 [1,1,0,0,0,0|0,0,1]=3 3478 B13R0.274 CCCCCC=CC(=O)CC(=O)NC 1458a_100016263427_100000183359 [1,1,0,0,0,0|1,0,1]=4 3479 B13R0.274 CCCCCC=CC(=O)CC(=O)OC 1458a_100016263427_100000747449 [1,1,0,0,0,0|0,0,1]=3 3480 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [1,1,0,0,0,0|0,0,2]=4 3481 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [1,1,0,0,0,0|1,0,1]=4 3482 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [1,1,0,0,0,0|1,0,1]=4 3483 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [1,1,0,0,0,0|1,0,1]=4 3484 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [1,1,0,0,0,0|1,0,1]=4 3485 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [1,1,0,0,0,0|1,0,1]=4 3486 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [1,1,0,0,0,0|1,0,1]=4 3487 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [1,1,0,0,0,0|1,0,1]=4 3488 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [1,1,0,0,0,0|1,0,1]=4 3489 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [1,1,0,0,0,0|1,0,1]=4 3490 B13R0.1170 CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210202 [1,1,0,0,0,0|2,0,0]=4 3491 B13R0.1170 CCCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100016266645 [1,1,0,0,0,0|1,0,1]=4 3492 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [1,1,0,0,0,0|1,0,1]=4 3493 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [1,1,0,0,0,0|0,0,1]=3 3494 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [1,1,0,0,0,0|1,0,1]=4 3495 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [1,1,0,0,0,0|1,0,1]=4 3496 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [1,1,0,0,0,0|1,0,1]=4 3497 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [1,1,0,0,0,0|1,0,1]=4 3498 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [1,1,0,0,0,0|1,0,1]=4 3499 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [1,1,0,0,0,0|1,0,1]=4 3500 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [1,1,0,0,0,0|1,0,1]=4 3501 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 11a_100000209983_100011309844 [1,1,0,0,0,0|2,0,0]=4 3502 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 1626a_100000209983_100011309844 [1,1,0,0,0,0|2,0,0]=4 3503 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 240690a_100000209983_100011309844 [1,1,0,0,0,0|2,0,0]=4 3504 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 527a_100000209983_100011309844 [1,1,0,0,0,0|2,0,0]=4 3505 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [1,1,0,0,0,0|1,0,0]=3 3506 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [1,1,0,0,0,0|1,0,0]=3 3507 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [1,1,0,0,0,0|1,0,0]=3 3508 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [1,1,0,0,0,0|1,0,0]=3 3509 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 11a_100000209983_100011387550 [1,1,0,0,0,0|2,0,0]=4 3510 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 1626a_100000209983_100011387550 [1,1,0,0,0,0|2,0,0]=4 3511 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 240690a_100000209983_100011387550 [1,1,0,0,0,0|2,0,0]=4 3512 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 527a_100000209983_100011387550 [1,1,0,0,0,0|2,0,0]=4 3513 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 11a_100000209983_100000194589 [1,1,0,0,0,0|2,0,0]=4 3514 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 1626a_100000209983_100000194589 [1,1,0,0,0,0|2,0,0]=4 3515 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 240690a_100000209983_100000194589 [1,1,0,0,0,0|2,0,0]=4 3516 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 527a_100000209983_100000194589 [1,1,0,0,0,0|2,0,0]=4 3517 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 11a_100000209983_100000215747 [1,1,0,0,0,0|2,0,0]=4 3518 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 1626a_100000209983_100000215747 [1,1,0,0,0,0|2,0,0]=4 3519 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 240690a_100000209983_100000215747 [1,1,0,0,0,0|2,0,0]=4 3520 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 527a_100000209983_100000215747 [1,1,0,0,0,0|2,0,0]=4 3521 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [1,1,0,0,0,0|1,0,1]=4 3522 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [1,1,0,0,0,0|1,0,1]=4 3523 B13R0.1170 CCCCNN=C(C)CCC(=O)OC 4a_100025702795_100000756497 [1,1,0,0,0,0|2,0,0]=4 3524 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [1,1,0,0,0,0|1,0,1]=4 3525 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [1,1,0,0,0,0|1,0,1]=4 3526 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [1,1,0,0,0,0|1,0,1]=4 3527 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [1,1,0,0,0,0|1,0,1]=4 3528 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [1,1,0,0,0,0|1,0,1]=4 3529 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [1,1,0,0,0,0|1,0,1]=4 3530 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [1,1,0,0,0,0|1,0,1]=4 3531 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 11a_100011200944_100000187943 [1,1,0,0,0,0|2,0,0]=4 3532 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 1626a_102516460346_100000187943 [1,1,0,0,0,0|2,0,0]=4 3533 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 240690a_100011200944_100000187943 [1,1,0,0,0,0|2,0,0]=4 3534 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 527a_100011200944_100000187943 [1,1,0,0,0,0|2,0,0]=4 3535 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 11a_100000106463_100000187943 [1,1,0,0,0,0|2,0,0]=4 3536 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 1626a_100000106463_100000187943 [1,1,0,0,0,0|2,0,0]=4 3537 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 240690a_100000106463_100000187943 [1,1,0,0,0,0|2,0,0]=4 3538 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 527a_100000106463_100000187943 [1,1,0,0,0,0|2,0,0]=4 3539 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [1,1,0,0,0,0|1,0,1]=4 3540 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [1,1,0,0,0,0|1,0,1]=4 3541 B13R0.1170 COC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000187943 [1,1,0,0,0,0|2,0,0]=4 3542 B13R0.1170 COC(=O)CCC(=O)NCCCCO 527a_100000750430_100000187943 [1,1,0,0,0,0|2,0,0]=4 3543 B13R0.1170 COC(=O)CCC(=O)NCCCSC 11a_100000749238_100000187943 [1,1,0,0,0,0|2,0,0]=4 3544 B13R0.1170 COC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000187943 [1,1,0,0,0,0|2,0,0]=4 3545 B13R0.1170 COC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000187943 [1,1,0,0,0,0|2,0,0]=4 3546 B13R0.1170 COC(=O)CCC(=O)NCCCSC 527a_100000749238_100000187943 [1,1,0,0,0,0|2,0,0]=4 3547 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [1,1,0,0,0,0|1,0,1]=4 3548 B13R0.1170 COCCCNC(=O)CCC(=O)OC 1626a_100150723488_100000187943 [1,1,0,0,0,0|2,0,0]=4 3549 B13R0.1170 COCCCNC(=O)CCC(=O)OC 240690a_100150723488_100000187943 [1,1,0,0,0,0|2,0,0]=4 3550 B13R0.1170 COCCCNC(=O)CCC(=O)OC 527a_100150723488_100000187943 [1,1,0,0,0,0|2,0,0]=4 3551 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210211 [0,2,0,0,0,0|0,0,2]=4 3552 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000210183_100000755133 [0,2,0,0,0,0|0,0,2]=4 3553 B15R0.1 CCCCC(C)COCCCC(=O)OCC 34a_100011995851_100009991533 [0,2,0,0,0,0|0,0,2]=4 3554 B15R0.1 CCCCC(C)COCCCC(=O)OCC 7a_100011995851_100011215271 [0,2,0,0,0,0|0,0,2]=4 3555 B15R0.1 CCCCC(C)COCCNC(=O)OCC 7a_100011995851_200011445536 [0,2,0,0,0,0|1,0,1]=4 3556 B15R0.1 CCCCC(C)NCCCCC(=O)OCC 2230a_100000126638_100000750268 [0,2,0,0,0,0|0,0,2]=4 3557 B15R0.1 CCCCC(C)NCCOCC(=O)OCC 2230a_100000126638_100000088970 [0,2,0,0,0,0|1,0,1]=4 3558 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 34a_100000687866_100000750268 [0,2,0,0,0,0|0,0,2]=4 3559 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 7a_100000687866_100000750268 [0,2,0,0,0,0|0,0,2]=4 3560 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 34a_100000687866_100000088970 [0,2,0,0,0,0|1,0,1]=4 3561 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 7a_100000687866_100000088970 [0,2,0,0,0,0|1,0,1]=4 3562 B15R0.1 CCCCC(C)OCCSCC(=O)OCC 7a_200000230590_200011215066 [0,2,0,0,0,0|1,0,1]=4 3563 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_100000750268_200011215066 [0,2,0,0,0,0|0,0,2]=4 3564 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_200011215066_100000750268 [0,2,0,0,0,0|0,0,2]=4 3565 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_100000088970_200011215066 [0,2,0,0,0,0|1,0,1]=4 3566 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_200011215066_100000088970 [0,2,0,0,0,0|1,0,1]=4 3567 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 2230a_100000207549_100000755133 [0,2,0,0,0,0|0,0,2]=4 3568 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 269982a_100000207549_100000755133 [0,2,0,0,0,0|0,0,2]=4 3569 B15R0.1 CCCC[C@H](N)COCCCC(=O)OCC 34a_100011934283_100009991533 [0,2,0,0,0,0|0,0,2]=4 3570 B15R0.1 CCCOC(C)CNCCCC(=O)OCC 2230a_100015185124_100009991533 [0,2,0,0,0,0|1,0,1]=4 3571 B15R0.1 CCCOC(C)CNCCCC(=O)OCC 34a_100015185124_100009991533 [0,2,0,0,0,0|1,0,1]=4 3572 B15R0.1 CCOC(=O)CCCNC[C@H](C)CCCO 2230a_100160569302_100009991533 [0,2,0,0,0,0|1,0,1]=4 3573 B15R0.1 CCOC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100009991533 [0,2,0,0,0,0|1,0,1]=4 3574 B15R0.1 CCOC(=O)CCCOC[C@@H](N)CCSC 34a_100011827619_100009991533 [0,2,0,0,0,0|1,0,1]=4 3575 B15R0.1 CCOCC(O)CNCCCC(=O)OCC 2230a_102515437182_100009991533 [0,2,0,0,0,0|1,0,1]=4 3576 B15R0.1 CCOCC(O)CNCCCC(=O)OCC 34a_102515437182_100009991533 [0,2,0,0,0,0|1,0,1]=4 3577 B15R0.115 CCCC(C)CCOCCC(=O)OC(C)C 7a_100011217855_100000760027 [0,2,0,0,0,0|1,0,1]=4 3578 B15R0.115 CCOC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100009991533 [0,2,0,0,0,0|1,0,1]=4 3579 B15R0.115 CCOC(=O)CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000765890 [0,2,0,0,0,0|1,0,1]=4 3580 B15R0.410 C=C(CCC)CC(=O)CCCC(=O)OCC 1458a_100000138376_100011215271 [0,2,0,0,0,0|0,0,2]=4 3581 B15R0.410 C=C(CCC)CC(=O)NCCC(=O)OCC 188690a_100000746078_100000138376 [0,2,0,0,0,0|1,0,1]=4 3582 B15R0.410 CCCC(=O)CC(=O)CCCC(=O)OCC 1458a_100000210991_100000747444 [0,2,0,0,0,0|0,0,2]=4 3583 B15R0.410 CCCC(C)CC(=O)CCCC(=O)NCC 1458a_100000199580_100011216630 [0,2,0,0,0,0|1,0,1]=4 3584 B15R0.410 CCCC(C)CC(=O)CCCC(=O)OCC 1458a_100000210991_100011216630 [0,2,0,0,0,0|0,0,1]=3 3585 B15R0.410 CCCC(C)CC(=O)CCCC(=O)OCC 1458a_100000748435_100011215271 [0,2,0,0,0,0|0,0,1]=3 3586 B15R0.410 CCCC(C)CC(=O)CCNC(=O)OCC 1458a_100000748435_200011445536 [0,2,0,0,0,0|1,0,1]=4 3587 B15R0.410 CCCC(C)CC(=O)NCCC(=O)NCC 11a_100025743525_100000748435 [0,2,0,0,0,0|2,0,0]=4 3588 B15R0.410 CCCC(C)CC(=O)NCCC(=O)NCC 1626a_100025743525_100000748435 [0,2,0,0,0,0|2,0,0]=4 3589 B15R0.410 CCCC(C)CC(=O)NCCC(=O)NCC 240690a_100025743525_100000748435 [0,2,0,0,0,0|2,0,0]=4 3590 B15R0.410 CCCC(C)CC(=O)NCCC(=O)NCC 527a_100025743525_100000748435 [0,2,0,0,0,0|2,0,0]=4 3591 B15R0.410 CCCC(C)CC(=O)NCCC(=O)OCC 188690a_100000746078_100000748435 [0,2,0,0,0,0|1,0,0]=3 3592 B15R0.410 CCCC(C)CCOC(C)CC(=O)OCC 7a_100011217855_100009817359 [0,2,0,0,0,0|1,0,1]=4 3593 B15R0.410 CCCC(C)COC[C@@H](O)CC(=O)OCC 34a_100000688023_100000688340 [0,2,0,0,0,0|1,0,1]=4 3594 B15R0.410 CCCC(C)COC[C@@H](O)CC(=O)OCC 7a_100000688023_100000688340 [0,2,0,0,0,0|1,0,1]=4 3595 B15R0.410 CCCC(C)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011216630 [0,2,0,0,0,0|1,0,1]=4 3596 B15R0.410 CCCC(C)CSC[C@@H](O)CC(=O)OCC 62a_100011216630_100000688340 [0,2,0,0,0,0|1,0,1]=4 3597 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 11a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 3598 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 1626a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 3599 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 240690a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 3600 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 527a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 3601 B15R0.410 CCCS(=O)CC(=O)CCCC(=O)OCC 1458a_100011387404_100011215271 [0,2,0,0,0,0|1,0,1]=4 3602 B15R0.410 CCCS(=O)CC(=O)NCCC(=O)OCC 188690a_100000746078_100011387404 [0,2,0,0,0,0|2,0,0]=4 3603 B15R0.410 CCC[C@H](N)COC[C@@H](O)CC(=O)OCC 34a_100000732646_100000688340 [0,2,0,0,0,0|1,0,1]=4 3604 B15R0.410 CCOC(=O)CCCC(=O)CC(C)SCC 1458a_200011311441_100011215271 [0,2,0,0,0,0|1,0,1]=4 3605 B15R0.410 CCOC(=O)CCNC(=O)CC(C)SCC 188690a_100000746078_200011311441 [0,2,0,0,0,0|2,0,0]=4 3606 B15R0.1734 CCCC(C)C(C)OCCCC(=O)OCC 34a_100000708338_100009991533 [0,2,0,0,0,0|1,0,1]=4 3607 B15R0.1734 CCCC(C)C(C)OCCCC(=O)OCC 7a_100000708338_100011215271 [0,2,0,0,0,0|1,0,1]=4 3608 B15R0.1739 CCCC(CCOCCC(=O)OCC)SC 34a_100000032865_100000765890 [0,2,0,0,0,0|1,0,1]=4 3609 B15R0.1739 CCCC(CCOCCC(=O)OCC)SC 7a_100000032865_100011206558 [0,2,0,0,0,0|1,0,1]=4 3610 B15R0.2187 CCCC(C)COC(C)CCC(=O)OCC 34a_100000688023_100000748298 [0,2,0,0,0,0|1,0,1]=4 3611 B15R0.2187 CCCC(C)COC(C)CCC(=O)OCC 7a_100000688023_100000748298 [0,2,0,0,0,0|1,0,1]=4 3612 B15R0.2187 CCCC(C)CSC(C)CCC(=O)OCC 62a_100000748298_100011216630 [0,2,0,0,0,0|1,0,1]=4 3613 B15R0.2187 CCCC(C)CSC(C)CCC(=O)OCC 62a_100011216630_100000748298 [0,2,0,0,0,0|1,0,1]=4 3614 B15R0.2187 CCC[C@H](N)COC(C)CCC(=O)OCC 34a_100000732646_100000748298 [0,2,0,0,0,0|1,0,1]=4 3615 B15R0.2187 CCOC(=O)CCC(=O)NCC(O)COC 240690a_100000756049_100000183558 [0,2,0,0,0,0|2,0,0]=4 3616 B15R0.3665 CCCC(C)(C)COCCCC(=O)OCC 7a_100011995695_100011215271 [0,2,0,0,0,0|1,0,1]=4 3617 B15R0.251 CCC(C)CCCOCCC(=O)OC(C)C 7a_100011216074_100000760027 [0,2,0,0,0,0|1,0,1]=4 3618 B15R0.386 CCOC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100009991533 [0,2,0,0,0,0|1,0,1]=4 3619 B15R0.395 CCOC(=O)CC(C)OCCCC(C)CC 7a_100011216074_100009817359 [0,2,0,0,0,0|1,0,1]=4 3620 B15R0.395 CCOC(=O)C[C@H](O)COCCC(C)CC 7a_100011215188_100000688340 [0,2,0,0,0,0|1,0,1]=4 3621 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210303 [0,2,0,0,0,0|0,0,2]=4 3622 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000211992_100009814379 [0,2,0,0,0,0|0,0,2]=4 3623 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 34a_100011713154_100000765890 [0,2,0,0,0,0|0,0,2]=4 3624 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 7a_100011713154_100011206558 [0,2,0,0,0,0|0,0,2]=4 3625 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 34a_100011217855_100009991533 [0,2,0,0,0,0|0,0,2]=4 3626 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 7a_100011217855_100011215271 [0,2,0,0,0,0|0,0,2]=4 3627 B15R0.408 CCCC(C)CCOCCNC(=O)OCC 7a_100011217855_200011445536 [0,2,0,0,0,0|1,0,1]=4 3628 B15R0.408 CCCC(C)COCCCCC(=O)OCC 34a_100000688023_100000750268 [0,2,0,0,0,0|0,0,2]=4 3629 B15R0.408 CCCC(C)COCCCCC(=O)OCC 7a_100000688023_100000750268 [0,2,0,0,0,0|0,0,2]=4 3630 B15R0.408 CCCC(C)COCCOCC(=O)OCC 34a_100000688023_100000088970 [0,2,0,0,0,0|1,0,1]=4 3631 B15R0.408 CCCC(C)COCCOCC(=O)OCC 7a_100000688023_100000088970 [0,2,0,0,0,0|1,0,1]=4 3632 B15R0.408 CCCC(C)COCCSCC(=O)OCC 7a_200000230590_100011216630 [0,2,0,0,0,0|1,0,1]=4 3633 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100000750268_100011216630 [0,2,0,0,0,0|0,0,2]=4 3634 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100011216630_100000750268 [0,2,0,0,0,0|0,0,2]=4 3635 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100000088970_100011216630 [0,2,0,0,0,0|1,0,1]=4 3636 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100011216630_100000088970 [0,2,0,0,0,0|1,0,1]=4 3637 B15R0.408 CCCC(C)NCCCCCC(=O)OCC 2230a_100000741246_100000755133 [0,2,0,0,0,0|0,0,2]=4 3638 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 34a_100000764384_100000755133 [0,2,0,0,0,0|0,0,2]=4 3639 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100000764384_100000755133 [0,2,0,0,0,0|0,0,2]=4 3640 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100011214988_100000766640 [0,2,0,0,0,0|0,0,2]=4 3641 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000755133_100000766640 [0,2,0,0,0,0|0,0,2]=4 3642 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000766640_100000755133 [0,2,0,0,0,0|0,0,2]=4 3643 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 2230a_100000747261_100009814379 [0,2,0,0,0,0|0,0,2]=4 3644 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 269982a_100000747261_100009814379 [0,2,0,0,0,0|0,0,2]=4 3645 B15R0.408 CCC[C@H](N)CCOCCCC(=O)OCC 34a_100015193777_100009991533 [0,2,0,0,0,0|0,0,2]=4 3646 B15R0.408 CCC[C@H](N)COCCCCC(=O)OCC 34a_100000732646_100000750268 [0,2,0,0,0,0|0,0,2]=4 3647 B15R0.408 CCC[C@H](N)COCCOCC(=O)OCC 34a_100000732646_100000088970 [0,2,0,0,0,0|1,0,1]=4 3648 B15R0.1733 CCOC(=O)CCCNC(C)CC(C)CC 2230a_100000763565_100009991533 [0,2,0,0,0,0|1,0,1]=4 3649 B15R0.3040 CCNC(=O)CCNC(=O)CCC(C)CC 11a_100025743525_100000701222 [0,2,0,0,0,0|2,0,0]=4 3650 B15R0.3040 CCNC(=O)CCNC(=O)CCC(C)CC 1626a_100025743525_100000701222 [0,2,0,0,0,0|2,0,0]=4 3651 B15R0.3040 CCNC(=O)CCNC(=O)CCC(C)CC 240690a_100025743525_100000701222 [0,2,0,0,0,0|2,0,0]=4 3652 B15R0.3040 CCNC(=O)CCNC(=O)CCC(C)CC 527a_100025743525_100000701222 [0,2,0,0,0,0|2,0,0]=4 3653 B15R0.3040 CCNC(=O)CCNC(=O)CCC(O)CC 1626a_100025743525_203496584001 [0,2,0,0,0,0|2,0,0]=4 3654 B15R0.3040 CCNC(=O)CCNC(=O)CCC(O)CC 240690a_100025743525_203496584001 [0,2,0,0,0,0|2,0,0]=4 3655 B15R0.3040 CCOC(=O)CCCC(=O)CCC(C)CC 1458a_100000701222_100011215271 [0,2,0,0,0,0|0,0,1]=3 3656 B15R0.3040 CCOC(=O)CCCC(=O)CCN(C)CC 1458a_100000755305_100011215271 [0,2,0,0,0,0|1,0,1]=4 3657 B15R0.3040 CCOC(=O)CCCC(=O)CCS(=O)CC 1458a_100011387550_100011215271 [0,2,0,0,0,0|1,0,1]=4 3658 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 11a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 3659 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 1626a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 3660 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 240690a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 3661 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 527a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 3662 B15R0.3040 CCOC(=O)CCCC(=O)NCC(O)CC 11a_100011218483_100000210991 [0,2,0,0,0,0|1,0,1]=4 3663 B15R0.3040 CCOC(=O)CCCC(=O)NCC(O)CC 240690a_100011218483_100000210991 [0,2,0,0,0,0|1,0,1]=4 3664 B15R0.3040 CCOC(=O)CCCC(=O)NCC(O)CC 527a_100011218483_100000210991 [0,2,0,0,0,0|1,0,1]=4 3665 B15R0.3040 CCOC(=O)CCNC(=O)CCC(C)CC 188690a_100000746078_100000701222 [0,2,0,0,0,0|1,0,0]=3 3666 B15R0.3040 CCOC(=O)CCNC(=O)CCC(O)CC 188690a_100000746078_203496584001 [0,2,0,0,0,0|1,0,0]=3 3667 B15R0.3040 CCOC(=O)CCNC(=O)CCN(C)CC 188690a_100000746078_100000755305 [0,2,0,0,0,0|2,0,0]=4 3668 B15R0.3040 CCOC(=O)CCNC(=O)CCS(=O)CC 188690a_100000746078_100011387550 [0,2,0,0,0,0|2,0,0]=4 3669 B15R0.3040 CCOC(=O)CCOC(C)CCC(C)CC 7a_200011216552_100011206558 [0,2,0,0,0,0|1,0,1]=4 3670 B15R0.3040 CCOC(=O)NCCC(=O)CCC(C)CC 1458a_100000701222_200011445536 [0,2,0,0,0,0|1,0,1]=4 3671 B15R0.4649 CCNC(=O)CCC(=O)NCCC(C)CC 11a_100020591266_100000199579 [0,2,0,0,0,0|2,0,0]=4 3672 B15R0.4649 CCNC(=O)CCC(=O)NCCC(C)CC 1626a_100020591266_100000199579 [0,2,0,0,0,0|2,0,0]=4 3673 B15R0.4649 CCNC(=O)CCC(=O)NCCC(C)CC 240690a_100020591266_100000199579 [0,2,0,0,0,0|2,0,0]=4 3674 B15R0.4649 CCOC(=O)CCC(=NNCC(O)CC)C 4a_100015206393_100011212338 [0,2,0,0,0,0|2,0,0]=4 3675 B15R0.4649 CCOC(=O)CCC(=O)CCCN(C)CC 1458a_100000183558_100015186262 [0,2,0,0,0,0|1,0,1]=4 3676 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CC 11a_100020591266_100000183558 [0,2,0,0,0,0|1,0,0]=3 3677 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CC 1626a_100020591266_100000183558 [0,2,0,0,0,0|1,0,0]=3 3678 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CC 240690a_100020591266_100000183558 [0,2,0,0,0,0|1,0,0]=3 3679 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CO 240690a_106354213184_100000183558 [0,2,0,0,0,0|2,0,0]=4 3680 B15R0.4649 CCOC(=O)CCC(C)NCCC(C)CC 2230a_100020591266_100000748298 [0,2,0,0,0,0|1,0,1]=4 3681 B15R0.4649 CCOC(=O)CCC(C)OCCC(C)CC 7a_100011215188_100000748298 [0,2,0,0,0,0|1,0,1]=4 3682 B15R0.4649 CCOC(=O)NCC(=O)NCCC(C)CC 11a_100020591266_100000190774 [0,2,0,0,0,0|2,0,0]=4 3683 B15R0.4649 CCOC(=O)NCC(=O)NCCC(C)CC 1626a_100020591266_100000190774 [0,2,0,0,0,0|2,0,0]=4 3684 B15R0.4649 CCOC(=O)NCC(=O)NCCC(C)CC 240690a_100020591266_100000190774 [0,2,0,0,0,0|2,0,0]=4 3685 B15R0.4649 CCOC(=O)NCC(=O)NCCC(C)CC 527a_100020591266_100000190774 [0,2,0,0,0,0|2,0,0]=4 3686 B15R0.67 CCCCCC=CC(=O)CC(=O)NC(C)C 1458a_100016263427_100000183996 [0,2,0,0,0,0|1,0,1]=4 3687 B15R0.67 CCCCCC=CC(=O)CC(=O)OC(C)C 1458a_100016263427_100011215430 [0,2,0,0,0,0|0,0,1]=3 3688 B15R0.138 C=C(CC(=O)C=CCCCCC)OCOC 1458a_100016263427_100000042856 [0,2,0,0,0,0|1,0,1]=4 3689 B15R0.138 C=CCOC(=O)CC(=O)C=CCCCCC 1458a_100016263427_100000033060 [0,2,0,0,0,0|0,0,2]=4 3690 B15R0.138 CCCCCC=CC(=O)CC(=O)NCCC 1458a_100016263427_100000183358 [0,2,0,0,0,0|1,0,1]=4 3691 B15R0.138 CCCCCC=CC(=O)CC(=O)OCCC 1458a_100016263427_200011215008 [0,2,0,0,0,0|0,0,1]=3 3692 B15R0.211 CCCCC(C)COC(C)CC(=O)OCC 7a_100011995851_100009817359 [0,2,0,0,0,0|1,0,1]=4 3693 B15R0.211 CCCCC(C)OC[C@@H](O)CC(=O)OCC 34a_100000687866_100000688340 [0,2,0,0,0,0|1,0,1]=4 3694 B15R0.211 CCCCC(C)OC[C@@H](O)CC(=O)OCC 7a_100000687866_100000688340 [0,2,0,0,0,0|1,0,1]=4 3695 B15R0.211 CCCCC(C)SC[C@@H](O)CC(=O)OCC 62a_100000688340_200011215066 [0,2,0,0,0,0|1,0,1]=4 3696 B15R0.211 CCCCC(C)SC[C@@H](O)CC(=O)OCC 62a_200011215066_100000688340 [0,2,0,0,0,0|1,0,1]=4 3697 B15R0.235 CCCCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_200012276598 [0,2,0,0,0,0|0,0,2]=4 3698 B15R0.235 CCCCCC(=O)CN(C)CC(=O)OCC 2230a_100000220588_200012276598 [0,2,0,0,0,0|1,0,1]=4 3699 B15R0.235 CCCCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000212188 [0,2,0,0,0,0|1,0,0]=3 3700 B15R0.235 CCCCCC(C)NC(C)CC(=O)OCC 2230a_100000211957_100009817359 [0,2,0,0,0,0|1,0,1]=4 3701 B15R0.235 CCCCCC(C)OC(C)CC(=O)OCC 7a_100011215632_100009817359 [0,2,0,0,0,0|1,0,1]=4 3702 B15R0.235 CCCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011218191 [0,2,0,0,0,0|1,0,1]=4 3703 B15R0.235 CCCCCC(C)SC(C)CC(=O)OCC 62a_100009817359_200011218191 [0,2,0,0,0,0|1,0,1]=4 3704 B15R0.235 CCCCCC(C)SC(C)CC(=O)OCC 62a_200011218191_100009817359 [0,2,0,0,0,0|1,0,1]=4 3705 B15R0.235 CCCCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000223495_100000688340 [0,2,0,0,0,0|1,0,1]=4 3706 B15R0.235 CCCOCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000745993 [0,2,0,0,0,0|2,0,0]=4 3707 B15R0.235 CCCSCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000217233 [0,2,0,0,0,0|2,0,0]=4 3708 B15R0.235 CCOC(=O)CC(C)NC(=O)CCCCO 188690a_100000686176_100000695505 [0,2,0,0,0,0|2,0,0]=4 3709 B15R0.235 CCOC(=O)CC(C)NC(=O)CCCOC 188690a_100000686176_100000741012 [0,2,0,0,0,0|2,0,0]=4 3710 B15R0.235 CCOC(=O)CC(C)NC(=O)CCCSC 188690a_100000686176_100000173376 [0,2,0,0,0,0|2,0,0]=4 3711 B15R0.235 CCOC(=O)CC(C)NC(=O)CCSCC 188690a_100000686176_100000230768 [0,2,0,0,0,0|2,0,0]=4 3712 B15R0.235 CCOCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000749530 [0,2,0,0,0,0|2,0,0]=4 3713 B15R0.370 C=COC(=O)CC(=O)C/C=C/CCCCC 1458a_100020675968_100000036128 [0,2,0,0,0,0|0,0,2]=4 3714 B15R0.370 CCCC/C=C/COC(C)CC(=O)OCC 7a_200016272032_100009817359 [0,2,0,0,0,0|0,0,2]=4 3715 B15R0.370 CCCCC/C=C/CC(=O)CC(=O)CCC 1458a_100020675968_100000747444 [0,2,0,0,0,0|1,0,0]=3 3716 B15R0.370 CCCCC/C=C/CC(=O)CC(=O)NCC 1458a_100020675968_100000183381 [0,2,0,0,0,0|1,0,0]=3 3717 B15R0.370 CCCCC/C=C/CC(=O)CC(=O)NCO 1458a_100020675968_100000185155 [0,2,0,0,0,0|2,0,0]=4 3718 B15R0.370 CCCCC/C=C/CC(=O)CC(=O)OCC 1458a_100020675968_100000188475 [0,2,0,0,0,0|0,0,0]=2 3719 B15R0.370 CCCCCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009816472 [0,2,0,0,0,0|0,0,2]=4 3720 B15R0.370 CCCCCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009816472 [0,2,0,0,0,0|0,0,2]=4 3721 B15R0.370 CCCCCCC=CC(=O)CC(=O)CCC 1458a_200015324643_100000747444 [0,2,0,0,0,0|1,0,1]=4 3722 B15R0.370 CCCCCCC=CC(=O)CC(=O)NCC 1458a_200015324643_100000183381 [0,2,0,0,0,0|1,0,1]=4 3723 B15R0.370 CCCCCCC=CC(=O)CC(=O)OCC 1458a_200015324643_100000188475 [0,2,0,0,0,0|0,0,1]=3 3724 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000210188_100000188475 [0,2,0,0,0,0|0,0,2]=4 3725 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210759 [0,2,0,0,0,0|0,0,2]=4 3726 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000207567_100000188475 [0,2,0,0,0,0|0,0,2]=4 3727 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210759 [0,2,0,0,0,0|0,0,2]=4 3728 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 269982a_100000207567_100000188475 [0,2,0,0,0,0|0,0,2]=4 3729 B15R0.370 CCCCCCCNC(C)CC(=O)OCC 2230a_100000229938_100009817359 [0,2,0,0,0,0|0,0,2]=4 3730 B15R0.370 CCCCCCCOC(C)CC(=O)OCC 7a_100000210272_100009817359 [0,2,0,0,0,0|0,0,2]=4 3731 B15R0.370 CCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210614 [0,2,0,0,0,0|0,0,2]=4 3732 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100000210614_100009817359 [0,2,0,0,0,0|0,0,2]=4 3733 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210316 [0,2,0,0,0,0|0,0,2]=4 3734 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210259_100000688340 [0,2,0,0,0,0|0,0,2]=4 3735 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210259_100000688340 [0,2,0,0,0,0|0,0,2]=4 3736 B15R0.370 CCCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210757 [0,2,0,0,0,0|1,0,1]=4 3737 B15R0.370 CCCCCCSCC(=O)CC(=O)OCC 62a_100000210314_100000210311 [0,2,0,0,0,0|1,0,1]=4 3738 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210314_100000688340 [0,2,0,0,0,0|0,0,2]=4 3739 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210757 [0,2,0,0,0,0|0,0,2]=4 3740 B15R0.370 CCCCOCCOC(C)CC(=O)OCC 7a_100000210238_100009817359 [0,2,0,0,0,0|1,0,1]=4 3741 B15R0.370 CCCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000743108 [0,2,0,0,0,0|1,0,1]=4 3742 B15R0.370 CCCCOCCSC(C)CC(=O)OCC 62a_100000743108_100009817359 [0,2,0,0,0,0|1,0,1]=4 3743 B15R0.370 CCCCOCCSC(C)CC(=O)OCC 62a_100009817359_100000743108 [0,2,0,0,0,0|1,0,1]=4 3744 B15R0.370 CCCCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011995733 [0,2,0,0,0,0|1,0,1]=4 3745 B15R0.370 CCCCOCSC[C@@H](O)CC(=O)OCC 62a_100011995733_100000688340 [0,2,0,0,0,0|1,0,1]=4 3746 B15R0.370 CCCCSCCNC(C)CC(=O)OCC 2230a_100025743550_100009817359 [0,2,0,0,0,0|1,0,1]=4 3747 B15R0.370 CCCCSCCOC(C)CC(=O)OCC 7a_200000230436_100009817359 [0,2,0,0,0,0|1,0,1]=4 3748 B15R0.370 CCCOCCCNC(C)CC(=O)OCC 2230a_100011217757_100009817359 [0,2,0,0,0,0|1,0,1]=4 3749 B15R0.370 CCCOCCNC[C@@H](O)CC(=O)OCC 34a_100161115042_100000688340 [0,2,0,0,0,0|1,0,1]=4 3750 B15R0.370 CCCOCCOC[C@@H](O)CC(=O)OCC 34a_100000752267_100000688340 [0,2,0,0,0,0|1,0,1]=4 3751 B15R0.370 CCCOCCOC[C@@H](O)CC(=O)OCC 7a_100000752267_100000688340 [0,2,0,0,0,0|1,0,1]=4 3752 B15R0.370 CCCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215938 [0,2,0,0,0,0|1,0,1]=4 3753 B15R0.370 CCCOCCSC[C@@H](O)CC(=O)OCC 62a_100011215938_100000688340 [0,2,0,0,0,0|1,0,1]=4 3754 B15R0.370 CCCSCCOC[C@@H](O)CC(=O)OCC 34a_200000230433_100000688340 [0,2,0,0,0,0|1,0,1]=4 3755 B15R0.370 CCCSCCOC[C@@H](O)CC(=O)OCC 7a_200000230433_100000688340 [0,2,0,0,0,0|1,0,1]=4 3756 B15R0.370 CCOC(=O)CC(C)NCCCCCCO 2230a_100000686447_100009817359 [0,2,0,0,0,0|1,0,1]=4 3757 B15R0.370 CCOC(=O)CC(C)NCCCCCOC 2230a_100000747528_100009817359 [0,2,0,0,0,0|1,0,1]=4 3758 B15R0.370 CCOC(=O)CC(C)OCCCCCCBr 7a_100011215345_100009817359 [0,2,0,0,0,0|1,0,1]=4 3759 B15R0.370 CCOC(=O)CC(C)OCCCCCCCl 7a_100000766143_100009817359 [0,2,0,0,0,0|1,0,1]=4 3760 B15R0.370 CCOC(=O)CC(C)OCCCCCCF 7a_100000732779_100009817359 [0,2,0,0,0,0|1,0,1]=4 3761 B15R0.370 CCOC(=O)CC(C)SCCCCCCF 62a_100009817359_100015922095 [0,2,0,0,0,0|1,0,1]=4 3762 B15R0.370 CCOC(=O)CC(C)SCCCCCCF 62a_100015922095_100009817359 [0,2,0,0,0,0|1,0,1]=4 3763 B15R0.370 CCOC(=O)CC(C)SCCCCCCO 62a_100000766143_100009817359 [0,2,0,0,0,0|1,0,1]=4 3764 B15R0.370 CCOC(=O)CC(C)SCCCCCCO 62a_100009817359_100000766143 [0,2,0,0,0,0|1,0,1]=4 3765 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCCF 7a_100009816390_100015922095 [0,2,0,0,0,0|1,0,1]=4 3766 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCCO 7a_100009816390_100000766143 [0,2,0,0,0,0|1,0,1]=4 3767 B15R0.370 CCOC(=O)C[C@H](O)CNCCCCCO 34a_100000762737_100000688340 [0,2,0,0,0,0|1,0,1]=4 3768 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCBr 34a_100000746331_100000688340 [0,2,0,0,0,0|1,0,1]=4 3769 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCBr 7a_100000746331_100000688340 [0,2,0,0,0,0|1,0,1]=4 3770 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCCl 34a_100000746330_100000688340 [0,2,0,0,0,0|1,0,1]=4 3771 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCCl 7a_100000746330_100000688340 [0,2,0,0,0,0|1,0,1]=4 3772 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCI 34a_200012148887_100000688340 [0,2,0,0,0,0|1,0,1]=4 3773 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCI 7a_200012148887_100000688340 [0,2,0,0,0,0|1,0,1]=4 3774 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCN 34a_100000762737_100000688340 [0,2,0,0,0,0|1,0,1]=4 3775 B15R0.370 CCOC(=O)C[C@H](O)COCCCCOC 34a_100000740925_100000688340 [0,2,0,0,0,0|1,0,1]=4 3776 B15R0.370 CCOC(=O)C[C@H](O)COCCCCSC 34a_100011217163_100000688340 [0,2,0,0,0,0|1,0,1]=4 3777 B15R0.370 CCOC(=O)C[C@H](O)COCCCCSC 7a_100011217163_100000688340 [0,2,0,0,0,0|1,0,1]=4 3778 B15R0.370 CCOC(=O)C[C@H](O)COCCCSCC 34a_100011216438_100000688340 [0,2,0,0,0,0|1,0,1]=4 3779 B15R0.370 CCOC(=O)C[C@H](O)COCCCSCC 7a_100011216438_100000688340 [0,2,0,0,0,0|1,0,1]=4 3780 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCF 62a_100000688340_100000729378 [0,2,0,0,0,0|1,0,1]=4 3781 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCF 62a_100000729378_100000688340 [0,2,0,0,0,0|1,0,1]=4 3782 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCO 62a_100000688340_100000746330 [0,2,0,0,0,0|1,0,1]=4 3783 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCO 62a_100000746330_100000688340 [0,2,0,0,0,0|1,0,1]=4 3784 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCOC 62a_100000688340_100000730899 [0,2,0,0,0,0|1,0,1]=4 3785 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCOC 62a_100000730899_100000688340 [0,2,0,0,0,0|1,0,1]=4 3786 B15R0.370 CCOCCCNC[C@@H](O)CC(=O)OCC 34a_100000210961_100000688340 [0,2,0,0,0,0|1,0,1]=4 3787 B15R0.370 CCOCCCOC[C@@H](O)CC(=O)OCC 34a_100000757476_100000688340 [0,2,0,0,0,0|1,0,1]=4 3788 B15R0.370 CCOCCCOC[C@@H](O)CC(=O)OCC 7a_100000757476_100000688340 [0,2,0,0,0,0|1,0,1]=4 3789 B15R0.370 CCOCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100012232248 [0,2,0,0,0,0|1,0,1]=4 3790 B15R0.370 CCOCCCSC[C@@H](O)CC(=O)OCC 62a_100012232248_100000688340 [0,2,0,0,0,0|1,0,1]=4 3791 B15R0.399 CCOC(=O)CC(C)OCCCCC(C)C 7a_100011214890_100009817359 [0,2,0,0,0,0|1,0,1]=4 3792 B15R0.399 CCOC(=O)CC(C)SCCCCC(C)C 62a_100009817359_100011216152 [0,2,0,0,0,0|1,0,1]=4 3793 B15R0.399 CCOC(=O)CC(C)SCCCCC(C)C 62a_100011216152_100009817359 [0,2,0,0,0,0|1,0,1]=4 3794 B15R0.399 CCOC(=O)C[C@@H](C)OCCCCC(C)C 7a_100009816390_100011216152 [0,2,0,0,0,0|1,0,1]=4 3795 B15R0.399 CCOC(=O)C[C@H](O)CNCCCC(C)C 34a_200000737386_100000688340 [0,2,0,0,0,0|1,0,1]=4 3796 B15R0.399 CCOC(=O)C[C@H](O)COCCCC(C)C 34a_100000210774_100000688340 [0,2,0,0,0,0|1,0,1]=4 3797 B15R0.399 CCOC(=O)C[C@H](O)COCCCC(C)C 7a_100000210774_100000688340 [0,2,0,0,0,0|1,0,1]=4 3798 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)C 62a_100000688340_100011214892 [0,2,0,0,0,0|1,0,1]=4 3799 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)C 62a_100011214892_100000688340 [0,2,0,0,0,0|1,0,1]=4 3800 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)O 62a_100000688340_200000718107 [0,2,0,0,0,0|1,0,1]=4 3801 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)O 62a_200000718107_100000688340 [0,2,0,0,0,0|1,0,1]=4 3802 B15R0.1921 C=C(CC(=O)OCC)C(=O)NCCCCC 1626a_100000209983_200000043866 [0,2,0,0,0,0|1,0,1]=4 3803 B15R0.1921 CCCCC=CC(=O)C(C)CC(=O)OCC 1458a_100016266645_100009817359 [0,2,0,0,0,0|0,0,1]=3 3804 B15R0.1921 CCCCC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100016266645 [0,2,0,0,0,0|1,0,1]=4 3805 B15R0.1921 CCCCC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100016266645 [0,2,0,0,0,0|1,0,1]=4 3806 B15R0.1921 CCCCC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100016266645 [0,2,0,0,0,0|1,0,1]=4 3807 B15R0.1921 CCCCCCC(=O)C(C)CC(=O)OCC 1458a_100102632555_100009817359 [0,2,0,0,0,0|0,0,1]=3 3808 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 3809 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 3810 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 3811 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 3812 B15R0.1921 CCCCCCN(C)C(C)CC(=O)OCC 2230a_106256046315_100009817359 [0,2,0,0,0,0|1,0,1]=4 3813 B15R0.1921 CCCCCCN(C)C(C)CC(=O)OCC 269982a_106256046315_100009817359 [0,2,0,0,0,0|1,0,1]=4 3814 B15R0.1921 CCCCOCC(=O)C(C)CC(=O)OCC 1458a_100000757543_100009817359 [0,2,0,0,0,0|1,0,1]=4 3815 B15R0.1921 CCCCSCC(=O)C(C)CC(=O)OCC 1458a_100000191162_100009817359 [0,2,0,0,0,0|1,0,1]=4 3816 B15R0.1921 CCOC(=O)CC(C)C(=O)CCCCCO 1458a_100102619762_100009817359 [0,2,0,0,0,0|1,0,1]=4 3817 B15R0.2242 CCCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210314 [0,2,0,0,0,0|1,0,1]=4 3818 B15R0.4374 CCCCCC=CC(=O)C(C)C(=O)NCC 1458a_100016263427_100000230173 [0,2,0,0,0,0|1,0,1]=4 3819 B15R0.4374 CCCCCC=CC(=O)C(C)C(=O)OCC 1458a_100016263427_100011216346 [0,2,0,0,0,0|0,0,1]=3 3820 B15R0.4374 CCCCCC=CC(=O)C(F)C(=O)OCC 1458a_100016263427_100000760018 [0,2,0,0,0,0|0,0,1]=3 3821 B15R0.4384 CCCCCC=CC(=O)CC(=O)N(C)CC 1458a_100016263427_100011894763 [0,2,0,0,0,0|1,0,1]=4 3822 B15R0.4416 CCCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210314 [0,2,0,0,0,0|1,0,1]=4 3823 B15R0.197 CCCCC=CC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100016266645 [0,2,0,0,0,0|1,0,1]=4 3824 B15R0.197 CCCCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100102632555 [0,2,0,0,0,0|1,0,1]=4 3825 B15R0.3222 C#CCN(C)C(=O)CC/C=C/CCCCC 11a_100000225692_200015255902 [0,2,0,0,0,0|1,0,1]=4 3826 B15R0.3222 C#CCN(C)C(=O)CC/C=C/CCCCC 1626a_100000225692_200015255902 [0,2,0,0,0,0|1,0,1]=4 3827 B15R0.3222 C#CCN(C)C(=O)CC/C=C/CCCCC 527a_100000225692_200015255902 [0,2,0,0,0,0|1,0,1]=4 3828 B15R0.3222 C=CCCC/C=C/COC(C)C(=O)OCC 34a_200016268473_100011216346 [0,2,0,0,0,0|0,0,2]=4 3829 B15R0.3222 C=CCCC/C=C/COC(C)C(=O)OCC 7a_200016268473_100011216346 [0,2,0,0,0,0|0,0,2]=4 3830 B15R0.3222 C=CCCC/C=C/COC(F)C(=O)OCC 34a_200016268473_100000760018 [0,2,0,0,0,0|0,0,2]=4 3831 B15R0.3222 C=CCCC/C=C/COC(F)C(=O)OCC 7a_200016268473_100000040065 [0,2,0,0,0,0|0,0,2]=4 3832 B15R0.3222 C=CCN(C)C(=O)CC/C=C/CCCCC 11a_100000225617_200015255902 [0,2,0,0,0,0|1,0,1]=4 3833 B15R0.3222 C=CCN(C)C(=O)CC/C=C/CCCCC 1626a_100000225617_200015255902 [0,2,0,0,0,0|1,0,1]=4 3834 B15R0.3222 C=CCN(C)C(=O)CC/C=C/CCCCC 240690a_100000225617_200015255902 [0,2,0,0,0,0|1,0,1]=4 3835 B15R0.3222 C=CCN(C)C(=O)CC/C=C/CCCCC 527a_100000225617_200015255902 [0,2,0,0,0,0|1,0,1]=4 3836 B15R0.3222 CCC/C=C/C=C/COC(C)C(=O)OCC 34a_100016294078_100011216346 [0,2,0,0,0,0|0,0,2]=4 3837 B15R0.3222 CCC/C=C/C=C/COC(F)C(=O)OCC 34a_100016294078_100000760018 [0,2,0,0,0,0|0,0,2]=4 3838 B15R0.3222 CCCC/C=C\CCOC(C)C(=O)OCC 34a_200016286491_100011216346 [0,2,0,0,0,0|0,0,2]=4 3839 B15R0.3222 CCCC/C=C\CCOC(C)C(=O)OCC 7a_200016286491_100011216346 [0,2,0,0,0,0|0,0,2]=4 3840 B15R0.3222 CCCC/C=C\CCOC(F)C(=O)OCC 34a_200016286491_100000760018 [0,2,0,0,0,0|0,0,2]=4 3841 B15R0.3222 CCCC/C=C\CCOC(F)C(=O)OCC 7a_200016286491_100000040065 [0,2,0,0,0,0|0,0,2]=4 3842 B15R0.3222 CCCCC/C=C/CCC(=O)C(C)CC#N 1458a_200015255902_100009813641 [0,2,0,0,0,0|1,0,1]=4 3843 B15R0.3222 CCCCC/C=C/CCC(=O)C(C)CCC 1458a_200015255902_100000766640 [0,2,0,0,0,0|1,0,0]=3 3844 B15R0.3222 CCCCC/C=C/CCC(=O)C(C)CCO 1458a_200015255902_100009893172 [0,2,0,0,0,0|1,0,0]=3 3845 B15R0.3222 CCCCC/C=C/CCC(=O)C(C)COC 1458a_200015255902_100000765312 [0,2,0,0,0,0|1,0,0]=3 3846 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CC#N 11a_100000748184_200015255902 [0,2,0,0,0,0|1,0,1]=4 3847 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CC#N 1626a_100000748184_200015255902 [0,2,0,0,0,0|1,0,1]=4 3848 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CCC 11a_100000747261_200015255902 [0,2,0,0,0,0|1,0,0]=3 3849 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CCC 1626a_100000747261_200015255902 [0,2,0,0,0,0|1,0,0]=3 3850 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CCC 240690a_100000747261_200015255902 [0,2,0,0,0,0|1,0,0]=3 3851 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CCC 527a_100000747261_200015255902 [0,2,0,0,0,0|1,0,0]=3 3852 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CCO 240690a_100000210263_200015255902 [0,2,0,0,0,0|1,0,0]=3 3853 B15R0.3222 CCCCC/C=C/CCC(=O)N(C)CCO 527a_100000210263_200015255902 [0,2,0,0,0,0|1,0,0]=3 3854 B15R0.3222 CCCCC/C=C/COC(C)C(=O)NCC 34a_100016258190_100000230173 [0,2,0,0,0,0|1,0,0]=3 3855 B15R0.3222 CCCCC/C=C/COC(C)C(=O)NCC 7a_100016258190_100000230173 [0,2,0,0,0,0|1,0,0]=3 3856 B15R0.3222 CCCCC/C=C/COC(C)C(=O)OCC 34a_100016258190_100011216346 [0,2,0,0,0,0|0,0,0]=2 3857 B15R0.3222 CCCCC/C=C/COC(C)C(=O)OCC 7a_100016258190_100011216346 [0,2,0,0,0,0|0,0,0]=2 3858 B15R0.3222 CCCCC/C=C/COC(F)C(=O)OCC 34a_100016258190_100000760018 [0,2,0,0,0,0|0,0,0]=2 3859 B15R0.3222 CCCCC/C=C/COC(F)C(=O)OCC 7a_100016258190_100000040065 [0,2,0,0,0,0|0,0,0]=2 3860 B15R0.3222 CCCCCC#CCOC(C)C(=O)OCC 34a_200000033628_100011216346 [0,2,0,0,0,0|0,0,2]=4 3861 B15R0.3222 CCCCCC#CCOC(C)C(=O)OCC 7a_200000033628_100011216346 [0,2,0,0,0,0|0,0,2]=4 3862 B15R0.3222 CCCCCC#CCOC(F)C(=O)OCC 34a_200000033628_100000760018 [0,2,0,0,0,0|0,0,2]=4 3863 B15R0.3222 CCCCCC#CCOC(F)C(=O)OCC 7a_200000033628_100000040065 [0,2,0,0,0,0|0,0,2]=4 3864 B15R0.3222 CCCCCC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100009816472 [0,2,0,0,0,0|0,0,2]=4 3865 B15R0.3222 CCCCCC#CCSC(C)C(=O)OCC 62a_100009816472_100011216346 [0,2,0,0,0,0|0,0,2]=4 3866 B15R0.3222 CCCCCC#CCSC(C)C(=O)OCC 62a_100011216346_100009816472 [0,2,0,0,0,0|0,0,2]=4 3867 B15R0.3222 CCCCCC#CCSC(F)C(=O)OCC 62a_100000760018_100009816472 [0,2,0,0,0,0|0,0,2]=4 3868 B15R0.3222 CCCCCC#CCSC(F)C(=O)OCC 62a_100009816472_100000760018 [0,2,0,0,0,0|0,0,2]=4 3869 B15R0.3222 CCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210670 [0,2,0,0,0,0|0,0,2]=4 3870 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 2230a_100000229939_100011215307 [0,2,0,0,0,0|0,0,2]=4 3871 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 34a_100000229939_100011216346 [0,2,0,0,0,0|0,0,2]=4 3872 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 2230a_100000229939_100000760018 [0,2,0,0,0,0|0,0,2]=4 3873 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 34a_100000229939_100000760018 [0,2,0,0,0,0|0,0,2]=4 3874 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 34a_100000210232_100011216346 [0,2,0,0,0,0|0,0,2]=4 3875 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 7a_100000210232_100011216346 [0,2,0,0,0,0|0,0,2]=4 3876 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 34a_100000210232_100000760018 [0,2,0,0,0,0|0,0,2]=4 3877 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 7a_100000210232_100000040065 [0,2,0,0,0,0|0,0,2]=4 3878 B15R0.3222 CCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210759 [0,2,0,0,0,0|0,0,2]=4 3879 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100000210759_100011216346 [0,2,0,0,0,0|0,0,2]=4 3880 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210317 [0,2,0,0,0,0|0,0,2]=4 3881 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000210759_100000760018 [0,2,0,0,0,0|0,0,2]=4 3882 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210317 [0,2,0,0,0,0|0,0,2]=4 3883 B15R0.3222 CCCCCNCCOC(C)C(=O)OCC 34a_100000224656_100011216346 [0,2,0,0,0,0|1,0,1]=4 3884 B15R0.3222 CCCCCNCCOC(F)C(=O)OCC 34a_100000224656_100000760018 [0,2,0,0,0,0|1,0,1]=4 3885 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 34a_100011215259_100011216346 [0,2,0,0,0,0|1,0,1]=4 3886 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 7a_100011215259_100011216346 [0,2,0,0,0,0|1,0,1]=4 3887 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 34a_100011215259_100000760018 [0,2,0,0,0,0|1,0,1]=4 3888 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 7a_100011215259_100000040065 [0,2,0,0,0,0|1,0,1]=4 3889 B15R0.3245 CCCCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210314 [0,2,0,0,0,0|1,0,1]=4 3890 B15R0.3282 CCCCCC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_200012276598 [0,2,0,0,0,0|1,0,1]=4 3891 B15R0.3282 CCCCCC(=O)CSC(C)C(=O)OCC 62a_100011216346_200012276598 [0,2,0,0,0,0|1,0,1]=4 3892 B15R0.3282 CCCCCC(=O)CSC(C)C(=O)OCC 62a_200012276598_100011216346 [0,2,0,0,0,0|1,0,1]=4 3893 B15R0.3282 CCCCCC(=O)CSC(F)C(=O)OCC 62a_100000760018_200012276598 [0,2,0,0,0,0|1,0,1]=4 3894 B15R0.3282 CCCCCC(=O)CSC(F)C(=O)OCC 62a_200012276598_100000760018 [0,2,0,0,0,0|1,0,1]=4 3895 B15R0.4413 CCCCCCNCC(C)(C)C(=O)OCC 2230a_100000210581_100011219049 [0,2,0,0,0,0|1,0,1]=4 3896 B15R0.4413 CCCCCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210314 [0,2,0,0,0,0|1,0,1]=4 3897 B15R0.4413 CCCCCCOCC(F)(F)C(=O)OCC 34a_100000210259_100009817193 [0,2,0,0,0,0|1,0,1]=4 3898 B15R0.4413 CCCCCCSCC(C)(C)C(=O)OCC 62a_100000210314_100011219049 [0,2,0,0,0,0|1,0,1]=4 3899 B15R0.4413 CCCCCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210757 [0,2,0,0,0,0|1,0,1]=4 3900 B15R0.4413 CCCCCCSCC(F)(F)C(=O)OCC 62a_100000210314_100009817193 [0,2,0,0,0,0|1,0,1]=4 3901 B15R0.4413 CCCCCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210757 [0,2,0,0,0,0|1,0,1]=4 3902 B15R0.60 CCCCC(C)C(=O)CCCC(=O)NCC 1458a_100000199580_200011215066 [0,2,0,0,0,0|1,0,1]=4 3903 B15R0.60 CCCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210991_200011215066 [0,2,0,0,0,0|0,0,1]=3 3904 B15R0.60 CCCCC(C)C(=O)CCCC(=O)OCC 1458a_100000725509_100011215271 [0,2,0,0,0,0|0,0,1]=3 3905 B15R0.60 CCCCC(C)C(=O)CCNC(=O)OCC 1458a_100000725509_200011445536 [0,2,0,0,0,0|1,0,1]=4 3906 B15R0.60 CCCCC(C)C(=O)NCCC(=O)NCC 11a_100025743525_100000725509 [0,2,0,0,0,0|2,0,0]=4 3907 B15R0.60 CCCCC(C)C(=O)NCCC(=O)NCC 1626a_100025743525_100000725509 [0,2,0,0,0,0|2,0,0]=4 3908 B15R0.60 CCCCC(C)C(=O)NCCC(=O)NCC 240690a_100025743525_100000725509 [0,2,0,0,0,0|2,0,0]=4 3909 B15R0.60 CCCCC(C)C(=O)NCCC(=O)NCC 527a_100025743525_100000725509 [0,2,0,0,0,0|2,0,0]=4 3910 B15R0.60 CCCCC(C)C(=O)NCCC(=O)OCC 188690a_100000746078_100000725509 [0,2,0,0,0,0|1,0,0]=3 3911 B15R0.60 CCCCC(O)C(=O)CCCC(=O)OCC 1458a_100000720857_100011215271 [0,2,0,0,0,0|0,0,1]=3 3912 B15R0.60 CCCCC(O)C(=O)CCNC(=O)OCC 1458a_100000720857_200011445536 [0,2,0,0,0,0|1,0,1]=4 3913 B15R0.60 CCCCC(O)C(=O)NCCC(=O)NCC 240690a_100025743525_100000720857 [0,2,0,0,0,0|2,0,0]=4 3914 B15R0.60 CCCCC(O)C(=O)NCCC(=O)NCC 527a_100025743525_100000720857 [0,2,0,0,0,0|2,0,0]=4 3915 B15R0.60 CCCCC(O)C(=O)NCCC(=O)OCC 188690a_100000746078_100000720857 [0,2,0,0,0,0|1,0,0]=3 3916 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 11a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 3917 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 1626a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 3918 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 240690a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 3919 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 527a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 3920 B15R0.60 CCOC(=O)CCCC(=O)C(O)CCSC 1458a_100000685904_100011215271 [0,2,0,0,0,0|1,0,1]=4 3921 B15R0.60 CCOC(=O)CCNC(=O)C(O)CCSC 188690a_100000746078_100000685904 [0,2,0,0,0,0|2,0,0]=4 3922 B15R0.204 CCCCC(C)COCCC(=O)OC(C)C 7a_100011995851_100000760027 [0,2,0,0,0,0|1,0,1]=4 3923 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100000212188_100000750268 [0,2,0,0,0,0|0,0,1]=3 3924 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210326 [0,2,0,0,0,0|0,0,1]=3 3925 B15R0.244 CCCCCC(=O)CCOCC(=O)OCC 1458a_100000212188_100000088970 [0,2,0,0,0,0|0,0,1]=3 3926 B15R0.244 CCCCCC(=O)CNCCC(=O)NCC 34a_100025743525_200012276598 [0,2,0,0,0,0|1,0,1]=4 3927 B15R0.244 CCCCCC(=O)CSCCC(=O)NCC 62a_100000737597_200012276598 [0,2,0,0,0,0|1,0,1]=4 3928 B15R0.244 CCCCCC(=O)CSCCC(=O)NCC 62a_200012276598_100000737597 [0,2,0,0,0,0|1,0,1]=4 3929 B15R0.244 CCCCCC(=O)CSCCC(=O)OCC 62a_100000765890_200012276598 [0,2,0,0,0,0|0,0,1]=3 3930 B15R0.244 CCCCCC(=O)CSCCC(=O)OCC 62a_200012276598_100000765890 [0,2,0,0,0,0|0,0,1]=3 3931 B15R0.244 CCCCCC(=O)CSCOC(=O)OCC 62a_200012276598_100000075025 [0,2,0,0,0,0|1,0,1]=4 3932 B15R0.244 CCCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000212188 [0,2,0,0,0,0|0,0,1]=3 3933 B15R0.244 CCCCCC(C)NCCCC(=O)OCC 2230a_100000211957_100009991533 [0,2,0,0,0,0|0,0,2]=4 3934 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 34a_100011215632_100009991533 [0,2,0,0,0,0|0,0,2]=4 3935 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100011215632_100011215271 [0,2,0,0,0,0|0,0,2]=4 3936 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218191 [0,2,0,0,0,0|0,0,2]=4 3937 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011218191 [0,2,0,0,0,0|1,0,1]=4 3938 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 7a_100011215632_200011445536 [0,2,0,0,0,0|1,0,1]=4 3939 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218191 [0,2,0,0,0,0|0,0,2]=4 3940 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_200011218191_100009991533 [0,2,0,0,0,0|0,0,2]=4 3941 B15R0.244 CCCCCC(C)SCCNC(=O)OCC 62a_200011218191_200011445536 [0,2,0,0,0,0|1,0,1]=4 3942 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 2230a_100000223495_100000750268 [0,2,0,0,0,0|0,0,2]=4 3943 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 269982a_100000223495_100000750268 [0,2,0,0,0,0|0,0,2]=4 3944 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 2230a_100000223495_100000088970 [0,2,0,0,0,0|1,0,1]=4 3945 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 269982a_100000223495_100000088970 [0,2,0,0,0,0|1,0,1]=4 3946 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 11a_100000102301_100011217402 [0,2,0,0,0,0|1,0,1]=4 3947 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 1626a_100000102301_100011217402 [0,2,0,0,0,0|1,0,1]=4 3948 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 240690a_100000102301_100011217402 [0,2,0,0,0,0|1,0,1]=4 3949 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 527a_100000102301_100011217402 [0,2,0,0,0,0|1,0,1]=4 3950 B15R0.244 CCCCNC(=O)CSCCC(=O)OCC 62a_100000182744_100000765890 [0,2,0,0,0,0|1,0,1]=4 3951 B15R0.244 CCCCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000182744 [0,2,0,0,0,0|1,0,1]=4 3952 B15R0.244 CCCCOC(=O)CSCCC(=O)OCC 62a_100000211628_100000765890 [0,2,0,0,0,0|1,0,1]=4 3953 B15R0.244 CCCCOC(=O)CSCCC(=O)OCC 62a_100000765890_100000211628 [0,2,0,0,0,0|1,0,1]=4 3954 B15R0.244 CCCOCC(=O)CCCCC(=O)OCC 1458a_100000745993_100000750268 [0,2,0,0,0,0|1,0,1]=4 3955 B15R0.244 CCCOCC(=O)CCOCC(=O)OCC 1458a_100000745993_100000088970 [0,2,0,0,0,0|1,0,1]=4 3956 B15R0.244 CCCOCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000745993 [0,2,0,0,0,0|1,0,1]=4 3957 B15R0.244 CCCOCC(=O)NCCCC(=O)OCC 34a_100000210258_100000183181 [0,2,0,0,0,0|1,0,1]=4 3958 B15R0.244 CCCSCC(=O)CCCCC(=O)OCC 1458a_100000217233_100000750268 [0,2,0,0,0,0|1,0,1]=4 3959 B15R0.244 CCCSCC(=O)CCOCC(=O)OCC 1458a_100000217233_100000088970 [0,2,0,0,0,0|1,0,1]=4 3960 B15R0.244 CCCSCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000217233 [0,2,0,0,0,0|1,0,1]=4 3961 B15R0.244 CCCSCC(=O)NCCCC(=O)OCC 62a_100000183181_100000210303 [0,2,0,0,0,0|1,0,1]=4 3962 B15R0.244 CCCSCC(=O)NCCCC(=O)OCC 62a_100000210303_100000183181 [0,2,0,0,0,0|1,0,1]=4 3963 B15R0.244 CCOC(=O)CCCCC(=O)CCCCF 1458a_100011217402_100000729493 [0,2,0,0,0,0|1,0,1]=4 3964 B15R0.244 CCOC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000750268 [0,2,0,0,0,0|1,0,1]=4 3965 B15R0.244 CCOC(=O)CCCCC(=O)CCCCO 1458a_100011217402_100000210776 [0,2,0,0,0,0|1,0,1]=4 3966 B15R0.244 CCOC(=O)CCCCC(=O)CCCOC 1458a_100000741012_100000750268 [0,2,0,0,0,0|1,0,1]=4 3967 B15R0.244 CCOC(=O)CCCCC(=O)CCCOC 1458a_100011217402_100000740836 [0,2,0,0,0,0|1,0,1]=4 3968 B15R0.244 CCOC(=O)CCCCC(=O)CCCSC 1458a_100000173376_100000750268 [0,2,0,0,0,0|1,0,1]=4 3969 B15R0.244 CCOC(=O)CCCCC(=O)CCSCC 1458a_100000230768_100000750268 [0,2,0,0,0,0|1,0,1]=4 3970 B15R0.244 CCOC(=O)CCCCC(=O)CCSCC 1458a_100011217402_100000757381 [0,2,0,0,0,0|1,0,1]=4 3971 B15R0.244 CCOC(=O)CCCNC(=O)CCCCO 188690a_100000211256_100000695505 [0,2,0,0,0,0|1,0,1]=4 3972 B15R0.244 CCOC(=O)CCCNC(=O)CCCOC 188690a_100000211256_100000741012 [0,2,0,0,0,0|1,0,1]=4 3973 B15R0.244 CCOC(=O)CCCNC(=O)CCCSC 188690a_100000211256_100000173376 [0,2,0,0,0,0|1,0,1]=4 3974 B15R0.244 CCOC(=O)CCCNC(=O)CCSCC 188690a_100000211256_100000230768 [0,2,0,0,0,0|1,0,1]=4 3975 B15R0.244 CCOC(=O)CCCOC(C)CCCOC 34a_200011539412_100009991533 [0,2,0,0,0,0|1,0,1]=4 3976 B15R0.244 CCOC(=O)CCCOC(C)CCCOC 7a_200011539412_100011215271 [0,2,0,0,0,0|1,0,1]=4 3977 B15R0.244 CCOC(=O)CCOC[C@@H](N)CCCCN 34a_100016993712_100000765890 [0,2,0,0,0,0|1,0,1]=4 3978 B15R0.244 CCOC(=O)COCCC(=O)CCCCO 1458a_100000695505_100000088970 [0,2,0,0,0,0|1,0,1]=4 3979 B15R0.244 CCOC(=O)COCCC(=O)CCCOC 1458a_100000741012_100000088970 [0,2,0,0,0,0|1,0,1]=4 3980 B15R0.244 CCOC(=O)COCCC(=O)CCCSC 1458a_100000173376_100000088970 [0,2,0,0,0,0|1,0,1]=4 3981 B15R0.244 CCOC(=O)COCCC(=O)CCSCC 1458a_100000230768_100000088970 [0,2,0,0,0,0|1,0,1]=4 3982 B15R0.244 CCOCCC(=O)CCCCC(=O)OCC 1458a_100000749530_100000750268 [0,2,0,0,0,0|1,0,1]=4 3983 B15R0.244 CCOCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100011215890 [0,2,0,0,0,0|1,0,1]=4 3984 B15R0.244 CCOCCC(=O)CCOCC(=O)OCC 1458a_100000749530_100000088970 [0,2,0,0,0,0|1,0,1]=4 3985 B15R0.244 CCOCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000749530 [0,2,0,0,0,0|1,0,1]=4 3986 B15R0.355 C#CC(CCCC)OCCCC(=O)OCC 34a_200011217967_100009991533 [0,2,0,0,0,0|1,0,1]=4 3987 B15R0.355 C#CC(CCCC)OCCCC(=O)OCC 7a_200011217967_100011215271 [0,2,0,0,0,0|1,0,1]=4 3988 B15R0.355 C=CC(CCCC)OCCCC(=O)OCC 34a_200011215037_100009991533 [0,2,0,0,0,0|1,0,1]=4 3989 B15R0.355 C=CC(CCCC)OCCCC(=O)OCC 7a_200011215037_100011215271 [0,2,0,0,0,0|1,0,1]=4 3990 B15R0.355 CCCCC(CC)CNCCC(=O)OCC 2230a_100000209976_100011206558 [0,2,0,0,0,0|1,0,1]=4 3991 B15R0.355 CCCCC(CC)COCCC(=O)OCC 34a_100000210273_100000765890 [0,2,0,0,0,0|1,0,1]=4 3992 B15R0.355 CCCCC(CC)COCCC(=O)OCC 7a_100000210273_100011206558 [0,2,0,0,0,0|1,0,1]=4 3993 B15R0.355 CCCCC(CC)CSCCC(=O)OCC 62a_100000211942_100000765890 [0,2,0,0,0,0|1,0,1]=4 3994 B15R0.355 CCCCC(CC)CSCCC(=O)OCC 62a_100000765890_100000211942 [0,2,0,0,0,0|1,0,1]=4 3995 B15R0.355 CCCCC(CC)OCCCC(=O)OCC 34a_100011215227_100009991533 [0,2,0,0,0,0|1,0,1]=4 3996 B15R0.355 CCCCC(CC)OCCCC(=O)OCC 7a_100011215227_100011215271 [0,2,0,0,0,0|1,0,1]=4 3997 B15R0.355 CCCCC(CC)OCCCC(=O)OCC 7a_100012001163_200011216223 [0,2,0,0,0,0|1,0,1]=4 3998 B15R0.355 CCCCC(CC)SCCCC(=O)OCC 62a_100009991533_200011216223 [0,2,0,0,0,0|1,0,1]=4 3999 B15R0.355 CCCCC(CC)SCCCC(=O)OCC 62a_200011216223_100009991533 [0,2,0,0,0,0|1,0,1]=4 4000 B15R0.355 CCCC[C@@H](CO)NCCCC(=O)OCC 2230a_100011934283_100009991533 [0,2,0,0,0,0|1,0,1]=4 4001 B15R0.355 CCCC[C@@H](CO)NCCCC(=O)OCC 34a_100011934283_100009991533 [0,2,0,0,0,0|1,0,1]=4 4002 B15R0.390 CCOC(=O)CCCNC(C)CCC(C)C 2230a_100138410893_100009991533 [0,2,0,0,0,0|1,0,1]=4 4003 B15R0.390 CCOC(=O)CCCOC(C)CCC(C)C 34a_100011215350_100009991533 [0,2,0,0,0,0|1,0,1]=4 4004 B15R0.390 CCOC(=O)CCCOC(C)CCC(C)C 7a_100011215350_100011215271 [0,2,0,0,0,0|1,0,1]=4 4005 B15R0.390 CCOC(=O)CCCSC(C)CCC(C)C 62a_100009991533_100011261404 [0,2,0,0,0,0|1,0,1]=4 4006 B15R0.390 CCOC(=O)CCCSC(C)CCC(C)C 62a_100011261404_100009991533 [0,2,0,0,0,0|1,0,1]=4 4007 B15R0.439 CCCCC(C)NC(=O)CCC(=O)NCC 11a_100000126638_100000199579 [0,2,0,0,0,0|2,0,0]=4 4008 B15R0.439 CCCCC(C)NC(=O)CCC(=O)NCC 1626a_100000126638_100000199579 [0,2,0,0,0,0|2,0,0]=4 4009 B15R0.439 CCCCC(C)NC(=O)CCC(=O)NCC 240690a_100000126638_100000199579 [0,2,0,0,0,0|2,0,0]=4 4010 B15R0.439 CCCCC(C)NC(=O)CCC(=O)OCC 11a_100000126638_100000183558 [0,2,0,0,0,0|1,0,0]=3 4011 B15R0.439 CCCCC(C)NC(=O)CCC(=O)OCC 1626a_100000126638_100000183558 [0,2,0,0,0,0|1,0,0]=3 4012 B15R0.439 CCCCC(C)NC(=O)CCC(=O)OCC 240690a_100000126638_100000183558 [0,2,0,0,0,0|1,0,0]=3 4013 B15R0.439 CCCCC(C)NC(=O)CNC(=O)OCC 11a_100000126638_100000190774 [0,2,0,0,0,0|2,0,0]=4 4014 B15R0.439 CCCCC(C)NC(=O)CNC(=O)OCC 1626a_100000126638_100000190774 [0,2,0,0,0,0|2,0,0]=4 4015 B15R0.439 CCCCC(C)NC(=O)CNC(=O)OCC 240690a_100000126638_100000190774 [0,2,0,0,0,0|2,0,0]=4 4016 B15R0.439 CCCCC(C)NC(=O)CNC(=O)OCC 527a_100000126638_100000190774 [0,2,0,0,0,0|2,0,0]=4 4017 B15R0.439 CCCCC(C)NC(C)CCC(=O)OCC 2230a_100000126638_100000748298 [0,2,0,0,0,0|1,0,1]=4 4018 B15R0.439 CCCCC(C)OC(C)CCC(=O)OCC 34a_100000687866_100000748298 [0,2,0,0,0,0|1,0,1]=4 4019 B15R0.439 CCCCC(C)OC(C)CCC(=O)OCC 7a_100000687866_100000748298 [0,2,0,0,0,0|1,0,1]=4 4020 B15R0.439 CCCCC(C)SC(C)CCC(=O)OCC 62a_100000748298_200011215066 [0,2,0,0,0,0|1,0,1]=4 4021 B15R0.439 CCCCC(C)SC(C)CCC(=O)OCC 62a_200011215066_100000748298 [0,2,0,0,0,0|1,0,1]=4 4022 B15R0.3367 CCCCC(C)(C)COCCC(=O)OCC 7a_200011995781_100011206558 [0,2,0,0,0,0|1,0,1]=4 4023 B15R0.3367 CCCCC(C)(C)OCCCC(=O)OCC 7a_100011219641_100011215271 [0,2,0,0,0,0|1,0,1]=4 4024 B15R0.321 CCCCC/C=C/CCC(=O)C(C)C(=O)C 1458a_200015255902_100000179758 [0,2,0,0,0,0|1,0,1]=4 4025 B15R0.321 CCCCC/C=C/CCC(=O)N(C)C(C)C 11a_200000211004_200015255902 [0,2,0,0,0,0|1,0,0]=3 4026 B15R0.321 CCCCC/C=C/CCC(=O)N(C)C(C)C 1626a_200000211004_200015255902 [0,2,0,0,0,0|1,0,0]=3 4027 B15R0.321 CCCCC/C=C/CCC(=O)N(C)C(C)C 240690a_200000211004_200015255902 [0,2,0,0,0,0|1,0,0]=3 4028 B15R0.321 CCCCC/C=C/CCC(=O)N(C)C(C)C 527a_200000211004_200015255902 [0,2,0,0,0,0|1,0,0]=3 4029 B15R0.324 CCCCC/C=C/COCC(=O)C(=O)OC 34a_100016258190_100011610305 [0,2,0,0,0,0|2,0,0]=4 4030 B15R0.324 CCCCC/C=C/COCC(=O)N(C)CC 34a_100016258190_100000738999 [0,2,0,0,0,0|1,0,0]=3 4031 B15R0.324 CCCCC/C=C/COCC(=O)N(C)CC 7a_100016258190_100000738999 [0,2,0,0,0,0|1,0,0]=3 4032 B15R0.324 CCCCC/C=C/COCC(=O)N(C)OC 7a_100016258190_100000764215 [0,2,0,0,0,0|2,0,0]=4 4033 B15R0.3224 CCCCC/C=C/CCC(=O)C(CC)CC 1458a_200015255902_100000210505 [0,2,0,0,0,0|1,0,0]=3 4034 B15R0.3224 CCCCC/C=C/CCC(=O)N(CC)CC 11a_100000724800_200015255902 [0,2,0,0,0,0|1,0,0]=3 4035 B15R0.3224 CCCCC/C=C/CCC(=O)N(CC)CC 1626a_100000724800_200015255902 [0,2,0,0,0,0|1,0,0]=3 4036 B15R0.3224 CCCCC/C=C/CCC(=O)N(CC)CC 240690a_100000724800_200015255902 [0,2,0,0,0,0|1,0,0]=3 4037 B15R0.3224 CCCCC/C=C/CCC(=O)N(CC)CC 527a_100000724800_200015255902 [0,2,0,0,0,0|1,0,0]=3 4038 B15R0.136 C#CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012094781 [0,2,0,0,0,0|0,0,2]=4 4039 B15R0.136 C#CCCCCNC(=O)CCC(=O)OCC 11a_100000706060_100000183558 [0,2,0,0,0,0|1,0,1]=4 4040 B15R0.136 C#CCCCCNC(=O)CCC(=O)OCC 1626a_100000706060_100000183558 [0,2,0,0,0,0|1,0,1]=4 4041 B15R0.136 C#CCCCCNC(=O)CCC(=O)OCC 240690a_100000706060_100000183558 [0,2,0,0,0,0|1,0,1]=4 4042 B15R0.136 C=CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000700193 [0,2,0,0,0,0|0,0,2]=4 4043 B15R0.136 C=CCCCCNC(=O)CCC(=O)OCC 11a_100000703577_100000183558 [0,2,0,0,0,0|1,0,1]=4 4044 B15R0.136 C=CCCCCNC(=O)CCC(=O)OCC 1626a_100000703577_100000183558 [0,2,0,0,0,0|1,0,1]=4 4045 B15R0.136 C=CCCCCNC(=O)CCC(=O)OCC 240690a_100000703577_100000183558 [0,2,0,0,0,0|1,0,1]=4 4046 B15R0.136 CCCC/C=C/CC(=O)NCC(=O)OCC 188690a_100000741813_200016282684 [0,2,0,0,0,0|1,0,1]=4 4047 B15R0.136 CCCCCC=CC(=O)COC(=O)CCC 1458a_100016263427_100000034017 [0,2,0,0,0,0|1,0,1]=4 4048 B15R0.136 CCCCCC=CC(=O)NCC(=O)NCC 11a_100016988866_100016263427 [0,2,0,0,0,0|1,0,1]=4 4049 B15R0.136 CCCCCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100016263427 [0,2,0,0,0,0|1,0,1]=4 4050 B15R0.136 CCCCCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100016263427 [0,2,0,0,0,0|1,0,1]=4 4051 B15R0.136 CCCCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100016263427 [0,2,0,0,0,0|0,0,1]=3 4052 B15R0.136 CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210614 [0,2,0,0,0,0|1,0,1]=4 4053 B15R0.136 CCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210614 [0,2,0,0,0,0|0,0,1]=3 4054 B15R0.136 CCCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210614 [0,2,0,0,0,0|1,0,1]=4 4055 B15R0.136 CCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211969 [0,2,0,0,0,0|1,0,1]=4 4056 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 34a_200011215852_100000188475 [0,2,0,0,0,0|0,0,2]=4 4057 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 7a_200011215852_100000188475 [0,2,0,0,0,0|0,0,2]=4 4058 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218727 [0,2,0,0,0,0|0,0,2]=4 4059 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_200011218727_100000188475 [0,2,0,0,0,0|0,0,2]=4 4060 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000228206_100011206558 [0,2,0,0,0,0|0,0,2]=4 4061 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210681 [0,2,0,0,0,0|0,0,2]=4 4062 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000228206_100011206558 [0,2,0,0,0,0|0,0,2]=4 4063 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210681 [0,2,0,0,0,0|0,0,2]=4 4064 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 11a_100000210581_100000199579 [0,2,0,0,0,0|1,0,1]=4 4065 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 1626a_100000210581_100000199579 [0,2,0,0,0,0|1,0,1]=4 4066 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 240690a_100000210581_100000199579 [0,2,0,0,0,0|1,0,1]=4 4067 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 11a_100000210581_100000183558 [0,2,0,0,0,0|0,0,1]=3 4068 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 1626a_100000210581_100000183558 [0,2,0,0,0,0|0,0,1]=3 4069 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 240690a_100000210581_100000183558 [0,2,0,0,0,0|0,0,1]=3 4070 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 11a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4071 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 1626a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4072 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 240690a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4073 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 527a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4074 B15R0.136 CCCCCCNC(C)CCC(=O)OCC 2230a_100000210581_100000748298 [0,2,0,0,0,0|0,0,2]=4 4075 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 34a_100000210259_100000748298 [0,2,0,0,0,0|0,0,2]=4 4076 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 7a_100000210259_100000748298 [0,2,0,0,0,0|0,0,2]=4 4077 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000210314_100000748298 [0,2,0,0,0,0|0,0,2]=4 4078 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210757 [0,2,0,0,0,0|0,0,2]=4 4079 B15R0.136 CCCCCNCC(=O)NCC(=O)OCC 2230a_100000209983_100011215850 [0,2,0,0,0,0|1,0,1]=4 4080 B15R0.136 CCCCCNN=C(C)CCC(=O)OCC 4a_100000694160_100011212338 [0,2,0,0,0,0|1,0,0]=3 4081 B15R0.136 CCCCCNNC(=O)CCC(=O)NCC 22a_100000694160_100000199579 [0,2,0,0,0,0|2,0,0]=4 4082 B15R0.136 CCCCCNNC(=O)CNC(=O)OCC 22a_100000694160_100000190774 [0,2,0,0,0,0|2,0,0]=4 4083 B15R0.136 CCCCCOCC(=O)NCC(=O)OCC 34a_100000210253_100011215850 [0,2,0,0,0,0|1,0,1]=4 4084 B15R0.136 CCCCCOCC(=O)NCC(=O)OCC 7a_100000210253_100011215850 [0,2,0,0,0,0|1,0,1]=4 4085 B15R0.136 CCCCCSCC(=O)NCC(=O)OCC 62a_100000210326_100011215850 [0,2,0,0,0,0|1,0,1]=4 4086 B15R0.136 CCCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210326 [0,2,0,0,0,0|1,0,1]=4 4087 B15R0.136 CCCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100000743108 [0,2,0,0,0,0|1,0,1]=4 4088 B15R0.136 CCCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100000743108 [0,2,0,0,0,0|0,0,1]=3 4089 B15R0.136 CCCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100000743108 [0,2,0,0,0,0|1,0,1]=4 4090 B15R0.136 CCCCOCCN(C)CCC(=O)OCC 2230a_100000745921_100000743108 [0,2,0,0,0,0|1,0,1]=4 4091 B15R0.136 CCCCOCCN(C)CCC(=O)OCC 269982a_100000745921_100000743108 [0,2,0,0,0,0|1,0,1]=4 4092 B15R0.136 CCCCOCSC(C)CCC(=O)OCC 62a_100000748298_100011995733 [0,2,0,0,0,0|1,0,1]=4 4093 B15R0.136 CCCCOCSC(C)CCC(=O)OCC 62a_100011995733_100000748298 [0,2,0,0,0,0|1,0,1]=4 4094 B15R0.136 CCCOCCNC(=O)CCC(=O)NCC 1626a_100161115042_100000199579 [0,2,0,0,0,0|2,0,0]=4 4095 B15R0.136 CCCOCCNC(=O)CCC(=O)NCC 240690a_100161115042_100000199579 [0,2,0,0,0,0|2,0,0]=4 4096 B15R0.136 CCCOCCNC(=O)CCC(=O)OCC 1626a_100161115042_100000183558 [0,2,0,0,0,0|1,0,0]=3 4097 B15R0.136 CCCOCCNC(=O)CCC(=O)OCC 240690a_100161115042_100000183558 [0,2,0,0,0,0|1,0,0]=3 4098 B15R0.136 CCCOCCNC(=O)CNC(=O)OCC 1626a_100161115042_100000190774 [0,2,0,0,0,0|2,0,0]=4 4099 B15R0.136 CCCOCCNC(=O)CNC(=O)OCC 240690a_100161115042_100000190774 [0,2,0,0,0,0|2,0,0]=4 4100 B15R0.136 CCCOCCNC(=O)CNC(=O)OCC 527a_100161115042_100000190774 [0,2,0,0,0,0|2,0,0]=4 4101 B15R0.136 CCCOCCNC(C)CCC(=O)OCC 2230a_100161115042_100000748298 [0,2,0,0,0,0|1,0,1]=4 4102 B15R0.136 CCCOCCNC(C)CCC(=O)OCC 34a_100161115042_100000748298 [0,2,0,0,0,0|1,0,1]=4 4103 B15R0.136 CCCOCCOC(C)CCC(=O)OCC 34a_100000752267_100000748298 [0,2,0,0,0,0|1,0,1]=4 4104 B15R0.136 CCCOCCOC(C)CCC(=O)OCC 7a_100000752267_100000748298 [0,2,0,0,0,0|1,0,1]=4 4105 B15R0.136 CCCOCCSC(C)CCC(=O)OCC 62a_100000748298_100011215938 [0,2,0,0,0,0|1,0,1]=4 4106 B15R0.136 CCCOCCSC(C)CCC(=O)OCC 62a_100011215938_100000748298 [0,2,0,0,0,0|1,0,1]=4 4107 B15R0.136 CCCSCCNC(=O)CCC(=O)NCC 11a_100020603323_100000199579 [0,2,0,0,0,0|2,0,0]=4 4108 B15R0.136 CCCSCCNC(=O)CCC(=O)NCC 240690a_100020603323_100000199579 [0,2,0,0,0,0|2,0,0]=4 4109 B15R0.136 CCCSCCNC(=O)CCC(=O)OCC 11a_100020603323_100000183558 [0,2,0,0,0,0|1,0,0]=3 4110 B15R0.136 CCCSCCNC(=O)CCC(=O)OCC 240690a_100020603323_100000183558 [0,2,0,0,0,0|1,0,0]=3 4111 B15R0.136 CCCSCCNC(=O)CNC(=O)OCC 11a_100020603323_100000190774 [0,2,0,0,0,0|2,0,0]=4 4112 B15R0.136 CCCSCCNC(=O)CNC(=O)OCC 240690a_100020603323_100000190774 [0,2,0,0,0,0|2,0,0]=4 4113 B15R0.136 CCCSCCNC(=O)CNC(=O)OCC 527a_100020603323_100000190774 [0,2,0,0,0,0|2,0,0]=4 4114 B15R0.136 CCCSCCNC(C)CCC(=O)OCC 2230a_100020603323_100000748298 [0,2,0,0,0,0|1,0,1]=4 4115 B15R0.136 CCCSCCOC(C)CCC(=O)OCC 34a_200000230433_100000748298 [0,2,0,0,0,0|1,0,1]=4 4116 B15R0.136 CCCSCCOC(C)CCC(=O)OCC 7a_200000230433_100000748298 [0,2,0,0,0,0|1,0,1]=4 4117 B15R0.136 CCNC(=O)CCC(=O)CCCCCCF 1458a_100000199579_100015922095 [0,2,0,0,0,0|1,0,1]=4 4118 B15R0.136 CCNC(=O)CCC(=O)CCCCCCO 1458a_100000199579_100000766143 [0,2,0,0,0,0|1,0,1]=4 4119 B15R0.136 CCNC(=O)CCC(=O)NCCCCCO 240690a_100000762737_100000199579 [0,2,0,0,0,0|2,0,0]=4 4120 B15R0.136 CCNC(=O)CCC(=O)NCCCOCC 11a_100000210961_100000199579 [0,2,0,0,0,0|2,0,0]=4 4121 B15R0.136 CCNC(=O)CCC(=O)NCCCOCC 1626a_100000210961_100000199579 [0,2,0,0,0,0|2,0,0]=4 4122 B15R0.136 CCNC(=O)CCC(=O)NCCCOCC 240690a_100000210961_100000199579 [0,2,0,0,0,0|2,0,0]=4 4123 B15R0.136 CCOC(=O)CCC(=O)CCCCCC#N 1458a_100000183558_100009813376 [0,2,0,0,0,0|0,0,2]=4 4124 B15R0.136 CCOC(=O)CCC(=O)CCCCCCF 1458a_100000183558_100015922095 [0,2,0,0,0,0|0,0,1]=3 4125 B15R0.136 CCOC(=O)CCC(=O)CCCCCCO 1458a_100000183558_100000766143 [0,2,0,0,0,0|0,0,1]=3 4126 B15R0.136 CCOC(=O)CCC(=O)CCOCCOC 1458a_100000183558_100000695917 [0,2,0,0,0,0|1,0,1]=4 4127 B15R0.136 CCOC(=O)CCC(=O)NCCCCC#N 11a_100000751965_100000183558 [0,2,0,0,0,0|1,0,1]=4 4128 B15R0.136 CCOC(=O)CCC(=O)NCCCCC#N 1626a_100000751965_100000183558 [0,2,0,0,0,0|1,0,1]=4 4129 B15R0.136 CCOC(=O)CCC(=O)NCCCCC#N 240690a_100000751965_100000183558 [0,2,0,0,0,0|1,0,1]=4 4130 B15R0.136 CCOC(=O)CCC(=O)NCCCCCO 240690a_100000762737_100000183558 [0,2,0,0,0,0|1,0,0]=3 4131 B15R0.136 CCOC(=O)CCC(=O)NCCOCCO 240690a_100000211614_100000183558 [0,2,0,0,0,0|2,0,0]=4 4132 B15R0.136 CCOC(=O)CCC(=O)NCCSCCO 240690a_100011219999_100000183558 [0,2,0,0,0,0|2,0,0]=4 4133 B15R0.136 CCOC(=O)CCC(C)NCCCCCO 2230a_100000762737_100000748298 [0,2,0,0,0,0|1,0,1]=4 4134 B15R0.136 CCOC(=O)CCC(C)NCCCCCO 34a_100000762737_100000748298 [0,2,0,0,0,0|1,0,1]=4 4135 B15R0.136 CCOC(=O)CCC(C)OCCCCCBr 34a_100000746331_100000748298 [0,2,0,0,0,0|1,0,1]=4 4136 B15R0.136 CCOC(=O)CCC(C)OCCCCCBr 7a_100000746331_100000748298 [0,2,0,0,0,0|1,0,1]=4 4137 B15R0.136 CCOC(=O)CCC(C)OCCCCCCl 34a_100000746330_100000748298 [0,2,0,0,0,0|1,0,1]=4 4138 B15R0.136 CCOC(=O)CCC(C)OCCCCCCl 7a_100000746330_100000748298 [0,2,0,0,0,0|1,0,1]=4 4139 B15R0.136 CCOC(=O)CCC(C)OCCCCCI 34a_200012148887_100000748298 [0,2,0,0,0,0|1,0,1]=4 4140 B15R0.136 CCOC(=O)CCC(C)OCCCCCI 7a_200012148887_100000748298 [0,2,0,0,0,0|1,0,1]=4 4141 B15R0.136 CCOC(=O)CCC(C)OCCCCCN 34a_100000762737_100000748298 [0,2,0,0,0,0|1,0,1]=4 4142 B15R0.136 CCOC(=O)CCC(C)OCCCCOC 34a_100000740925_100000748298 [0,2,0,0,0,0|1,0,1]=4 4143 B15R0.136 CCOC(=O)CCC(C)OCCCCSC 34a_100011217163_100000748298 [0,2,0,0,0,0|1,0,1]=4 4144 B15R0.136 CCOC(=O)CCC(C)OCCCCSC 7a_100011217163_100000748298 [0,2,0,0,0,0|1,0,1]=4 4145 B15R0.136 CCOC(=O)CCC(C)OCCCSCC 34a_100011216438_100000748298 [0,2,0,0,0,0|1,0,1]=4 4146 B15R0.136 CCOC(=O)CCC(C)OCCCSCC 7a_100011216438_100000748298 [0,2,0,0,0,0|1,0,1]=4 4147 B15R0.136 CCOC(=O)CCC(C)SCCCCCF 62a_100000729378_100000748298 [0,2,0,0,0,0|1,0,1]=4 4148 B15R0.136 CCOC(=O)CCC(C)SCCCCCF 62a_100000748298_100000729378 [0,2,0,0,0,0|1,0,1]=4 4149 B15R0.136 CCOC(=O)CCC(C)SCCCCCO 62a_100000746330_100000748298 [0,2,0,0,0,0|1,0,1]=4 4150 B15R0.136 CCOC(=O)CCC(C)SCCCCCO 62a_100000748298_100000746330 [0,2,0,0,0,0|1,0,1]=4 4151 B15R0.136 CCOC(=O)CCC(C)SCCCCOC 62a_100000730899_100000748298 [0,2,0,0,0,0|1,0,1]=4 4152 B15R0.136 CCOC(=O)CCC(C)SCCCCOC 62a_100000748298_100000730899 [0,2,0,0,0,0|1,0,1]=4 4153 B15R0.136 CCOC(=O)CCN(C)CCCCCCF 2230a_100000745921_100015922095 [0,2,0,0,0,0|1,0,1]=4 4154 B15R0.136 CCOC(=O)CCN(C)CCCCCCF 269982a_100000745921_100015922095 [0,2,0,0,0,0|1,0,1]=4 4155 B15R0.136 CCOC(=O)CCN(C)CCCCCCO 2230a_100000745921_100000766143 [0,2,0,0,0,0|1,0,1]=4 4156 B15R0.136 CCOC(=O)CCN(C)CCCCCCO 269982a_100000745921_100000766143 [0,2,0,0,0,0|1,0,1]=4 4157 B15R0.136 CCOC(=O)CNC(=O)CCCCCCO 188690a_100000741813_100011996774 [0,2,0,0,0,0|1,0,1]=4 4158 B15R0.136 CCOC(=O)CNC(=O)CCCCCOC 188690a_100000741813_100011935119 [0,2,0,0,0,0|1,0,1]=4 4159 B15R0.136 CCOC(=O)NCC(=O)CCCCCCF 1458a_100000190774_100015922095 [0,2,0,0,0,0|1,0,1]=4 4160 B15R0.136 CCOC(=O)NCC(=O)CCCCCCO 1458a_100000190774_100000766143 [0,2,0,0,0,0|1,0,1]=4 4161 B15R0.136 CCOC(=O)NCC(=O)NCCCCCO 240690a_100000762737_100000190774 [0,2,0,0,0,0|2,0,0]=4 4162 B15R0.136 CCOCCCNC(=O)CCC(=O)OCC 11a_100000210961_100000183558 [0,2,0,0,0,0|1,0,0]=3 4163 B15R0.136 CCOCCCNC(=O)CCC(=O)OCC 1626a_100000210961_100000183558 [0,2,0,0,0,0|1,0,0]=3 4164 B15R0.136 CCOCCCNC(=O)CCC(=O)OCC 240690a_100000210961_100000183558 [0,2,0,0,0,0|1,0,0]=3 4165 B15R0.136 CCOCCCNC(=O)CNC(=O)OCC 11a_100000210961_100000190774 [0,2,0,0,0,0|2,0,0]=4 4166 B15R0.136 CCOCCCNC(=O)CNC(=O)OCC 1626a_100000210961_100000190774 [0,2,0,0,0,0|2,0,0]=4 4167 B15R0.136 CCOCCCNC(=O)CNC(=O)OCC 240690a_100000210961_100000190774 [0,2,0,0,0,0|2,0,0]=4 4168 B15R0.136 CCOCCCNC(=O)CNC(=O)OCC 527a_100000210961_100000190774 [0,2,0,0,0,0|2,0,0]=4 4169 B15R0.136 CCOCCCNC(C)CCC(=O)OCC 2230a_100000210961_100000748298 [0,2,0,0,0,0|1,0,1]=4 4170 B15R0.136 CCOCCCNC(C)CCC(=O)OCC 34a_100000210961_100000748298 [0,2,0,0,0,0|1,0,1]=4 4171 B15R0.136 CCOCCCOC(C)CCC(=O)OCC 34a_100000757476_100000748298 [0,2,0,0,0,0|1,0,1]=4 4172 B15R0.136 CCOCCCOC(C)CCC(=O)OCC 7a_100000757476_100000748298 [0,2,0,0,0,0|1,0,1]=4 4173 B15R0.136 CCOCCCSC(C)CCC(=O)OCC 62a_100000748298_100012232248 [0,2,0,0,0,0|1,0,1]=4 4174 B15R0.136 CCOCCCSC(C)CCC(=O)OCC 62a_100012232248_100000748298 [0,2,0,0,0,0|1,0,1]=4 4175 B15R0.136 CCOCCNN=C(C)CCC(=O)OCC 4a_100000732670_100011212338 [0,2,0,0,0,0|2,0,0]=4 4176 B15R0.187 CC(C)OC(=O)CCC(=O)CCCCCO 1458a_100102619762_100000760027 [0,2,0,0,0,0|1,0,1]=4 4177 B15R0.187 CCCCC=CC(=O)CCC(=O)NC(C)C 1458a_100016266645_100000737564 [0,2,0,0,0,0|1,0,1]=4 4178 B15R0.187 CCCCC=CC(=O)CCC(=O)OC(C)C 1458a_100016266645_100000760027 [0,2,0,0,0,0|0,0,1]=3 4179 B15R0.187 CCCCC=CC(=O)COC(=O)OC(C)C 1458a_100016266645_100000003507 [0,2,0,0,0,0|1,0,1]=4 4180 B15R0.187 CCCCCCC(=O)CCC(=O)NC(C)C 1458a_100102632555_100000737564 [0,2,0,0,0,0|1,0,1]=4 4181 B15R0.187 CCCCCCC(=O)CCC(=O)OC(C)C 1458a_100102632555_100000760027 [0,2,0,0,0,0|0,0,1]=3 4182 B15R0.187 CCCCCCC(=O)COC(=O)OC(C)C 1458a_100102632555_100000003507 [0,2,0,0,0,0|1,0,1]=4 4183 B15R0.187 CCCCCCN(C)CCC(=O)OC(C)C 2230a_106256046315_100000760027 [0,2,0,0,0,0|1,0,1]=4 4184 B15R0.187 CCCCCCN(C)CCC(=O)OC(C)C 269982a_106256046315_100000760027 [0,2,0,0,0,0|1,0,1]=4 4185 B15R0.187 CCCCOCC(=O)CCC(=O)OC(C)C 1458a_100000757543_100000760027 [0,2,0,0,0,0|1,0,1]=4 4186 B15R0.187 CCCCSCC(=O)CCC(=O)OC(C)C 1458a_100000191162_100000760027 [0,2,0,0,0,0|1,0,1]=4 4187 B15R0.2061 CCCCC=CC(=O)COC(=O)OCCC 1458a_100016266645_200000139673 [0,2,0,0,0,0|1,0,1]=4 4188 B15R0.2061 CCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210757 [0,2,0,0,0,0|1,0,1]=4 4189 B15R0.2061 CCCCCCC(=O)COC(=O)OCCC 1458a_100102632555_200000139673 [0,2,0,0,0,0|1,0,1]=4 4190 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 11a_100000209983_100000199543 [0,2,0,0,0,0|2,0,0]=4 4191 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 1626a_100000209983_100000199543 [0,2,0,0,0,0|2,0,0]=4 4192 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 240690a_100000209983_100000199543 [0,2,0,0,0,0|2,0,0]=4 4193 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 527a_100000209983_100000199543 [0,2,0,0,0,0|2,0,0]=4 4194 B15R0.2061 CCCCNN=C(C)CCC(=O)OCCC 4a_100025702795_100011212339 [0,2,0,0,0,0|2,0,0]=4 4195 B15R0.2140 CCCCCC(=O)C(C)CCC(=O)OCC 1458a_100000212188_100000748298 [0,2,0,0,0,0|0,0,1]=3 4196 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000212188 [0,2,0,0,0,0|1,0,0]=3 4197 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000212188 [0,2,0,0,0,0|1,0,0]=3 4198 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000212188 [0,2,0,0,0,0|1,0,0]=3 4199 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000212188 [0,2,0,0,0,0|1,0,0]=3 4200 B15R0.2140 CCCCCC(C)C(=O)CCC(=O)NCC 1458a_100000199579_200011218191 [0,2,0,0,0,0|1,0,1]=4 4201 B15R0.2140 CCCCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200011218191 [0,2,0,0,0,0|0,0,1]=3 4202 B15R0.2140 CCCCCC(C)C(=O)CNC(=O)OCC 1458a_100000190774_200011218191 [0,2,0,0,0,0|1,0,1]=4 4203 B15R0.2140 CCCCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100011215998 [0,2,0,0,0,0|1,0,1]=4 4204 B15R0.2140 CCCCCC(C)N(C)CCC(=O)OCC 2230a_100000745921_200011218191 [0,2,0,0,0,0|1,0,1]=4 4205 B15R0.2140 CCCCCC(C)N(C)CCC(=O)OCC 269982a_100000745921_200011218191 [0,2,0,0,0,0|1,0,1]=4 4206 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)NCC 11a_100000223495_100000199579 [0,2,0,0,0,0|2,0,0]=4 4207 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)NCC 1626a_100000223495_100000199579 [0,2,0,0,0,0|2,0,0]=4 4208 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)NCC 240690a_100000223495_100000199579 [0,2,0,0,0,0|2,0,0]=4 4209 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)OCC 11a_100000223495_100000183558 [0,2,0,0,0,0|1,0,0]=3 4210 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)OCC 1626a_100000223495_100000183558 [0,2,0,0,0,0|1,0,0]=3 4211 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)OCC 240690a_100000223495_100000183558 [0,2,0,0,0,0|1,0,0]=3 4212 B15R0.2140 CCCCCN(C)C(=O)CNC(=O)OCC 11a_100000223495_100000190774 [0,2,0,0,0,0|2,0,0]=4 4213 B15R0.2140 CCCCCN(C)C(=O)CNC(=O)OCC 1626a_100000223495_100000190774 [0,2,0,0,0,0|2,0,0]=4 4214 B15R0.2140 CCCCCN(C)C(=O)CNC(=O)OCC 240690a_100000223495_100000190774 [0,2,0,0,0,0|2,0,0]=4 4215 B15R0.2140 CCCCCN(C)C(=O)CNC(=O)OCC 527a_100000223495_100000190774 [0,2,0,0,0,0|2,0,0]=4 4216 B15R0.2140 CCCCCN(C)C(C)CCC(=O)OCC 2230a_100000223495_100000748298 [0,2,0,0,0,0|1,0,1]=4 4217 B15R0.2140 CCCCCN(C)C(C)CCC(=O)OCC 269982a_100000223495_100000748298 [0,2,0,0,0,0|1,0,1]=4 4218 B15R0.2140 CCCOCC(=O)C(C)CCC(=O)OCC 1458a_100000745993_100000748298 [0,2,0,0,0,0|1,0,1]=4 4219 B15R0.2140 CCCOCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000745993 [0,2,0,0,0,0|2,0,0]=4 4220 B15R0.2140 CCCOCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000745993 [0,2,0,0,0,0|2,0,0]=4 4221 B15R0.2140 CCCOCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000745993 [0,2,0,0,0,0|2,0,0]=4 4222 B15R0.2140 CCCOCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000745993 [0,2,0,0,0,0|2,0,0]=4 4223 B15R0.2140 CCCSCC(=O)C(C)CCC(=O)OCC 1458a_100000217233_100000748298 [0,2,0,0,0,0|1,0,1]=4 4224 B15R0.2140 CCCSCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000217233 [0,2,0,0,0,0|2,0,0]=4 4225 B15R0.2140 CCCSCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000217233 [0,2,0,0,0,0|2,0,0]=4 4226 B15R0.2140 CCCSCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000217233 [0,2,0,0,0,0|2,0,0]=4 4227 B15R0.2140 CCCSCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000217233 [0,2,0,0,0,0|2,0,0]=4 4228 B15R0.2140 CCOC(=O)CCC(=O)N(C)CCCCO 240690a_100000717598_100000183558 [0,2,0,0,0,0|2,0,0]=4 4229 B15R0.2140 CCOC(=O)CCC(=O)N(C)CCCOC 11a_100000224831_100000183558 [0,2,0,0,0,0|2,0,0]=4 4230 B15R0.2140 CCOC(=O)CCC(=O)N(C)CCCOC 1626a_100000224831_100000183558 [0,2,0,0,0,0|2,0,0]=4 4231 B15R0.2140 CCOC(=O)CCC(=O)N(C)CCCOC 240690a_100000224831_100000183558 [0,2,0,0,0,0|2,0,0]=4 4232 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCCCO 1458a_100000695505_100000748298 [0,2,0,0,0,0|1,0,1]=4 4233 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCCOC 1458a_100000741012_100000748298 [0,2,0,0,0,0|1,0,1]=4 4234 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCCSC 1458a_100000173376_100000748298 [0,2,0,0,0,0|1,0,1]=4 4235 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCSCC 1458a_100000230768_100000748298 [0,2,0,0,0,0|1,0,1]=4 4236 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCCO 1626a_100000745921_100000695505 [0,2,0,0,0,0|2,0,0]=4 4237 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCOC 11a_100000745921_100000741012 [0,2,0,0,0,0|2,0,0]=4 4238 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCOC 1626a_100000745921_100000741012 [0,2,0,0,0,0|2,0,0]=4 4239 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCOC 240690a_100000745921_100000741012 [0,2,0,0,0,0|2,0,0]=4 4240 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCOC 527a_100000745921_100000741012 [0,2,0,0,0,0|2,0,0]=4 4241 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCSC 11a_100000745921_100000173376 [0,2,0,0,0,0|2,0,0]=4 4242 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCSC 1626a_100000745921_100000173376 [0,2,0,0,0,0|2,0,0]=4 4243 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCSC 240690a_100000745921_100000173376 [0,2,0,0,0,0|2,0,0]=4 4244 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCCSC 527a_100000745921_100000173376 [0,2,0,0,0,0|2,0,0]=4 4245 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCSCC 11a_100000745921_100000230768 [0,2,0,0,0,0|2,0,0]=4 4246 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCSCC 1626a_100000745921_100000230768 [0,2,0,0,0,0|2,0,0]=4 4247 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCSCC 240690a_100000745921_100000230768 [0,2,0,0,0,0|2,0,0]=4 4248 B15R0.2140 CCOC(=O)CCN(C)C(=O)CCSCC 527a_100000745921_100000230768 [0,2,0,0,0,0|2,0,0]=4 4249 B15R0.2140 CCOCCC(=O)C(C)CCC(=O)OCC 1458a_100000749530_100000748298 [0,2,0,0,0,0|1,0,1]=4 4250 B15R0.2140 CCOCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000749530 [0,2,0,0,0,0|2,0,0]=4 4251 B15R0.2140 CCOCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000749530 [0,2,0,0,0,0|2,0,0]=4 4252 B15R0.2140 CCOCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000749530 [0,2,0,0,0,0|2,0,0]=4 4253 B15R0.2140 CCOCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000749530 [0,2,0,0,0,0|2,0,0]=4 4254 B15R0.2167 CCCCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210314 [0,2,0,0,0,0|1,0,1]=4 4255 B15R0.2167 CCCCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210757 [0,2,0,0,0,0|1,0,1]=4 4256 B15R0.4652 CCNC(=O)CCC(=O)CCCCC(C)C 1458a_100000199579_100011216152 [0,2,0,0,0,0|1,0,1]=4 4257 B15R0.4652 CCNC(=O)CCC(=O)NCCCC(C)C 11a_200000737386_100000199579 [0,2,0,0,0,0|2,0,0]=4 4258 B15R0.4652 CCNC(=O)CCC(=O)NCCCC(C)C 1626a_200000737386_100000199579 [0,2,0,0,0,0|2,0,0]=4 4259 B15R0.4652 CCNC(=O)CCC(=O)NCCCC(C)C 240690a_200000737386_100000199579 [0,2,0,0,0,0|2,0,0]=4 4260 B15R0.4652 CCOC(=O)CCC(=O)CCCCC(=O)C 1458a_100000183558_100000735457 [0,2,0,0,0,0|0,0,2]=4 4261 B15R0.4652 CCOC(=O)CCC(=O)CCCCC(C)C 1458a_100000183558_100011216152 [0,2,0,0,0,0|0,0,1]=3 4262 B15R0.4652 CCOC(=O)CCC(=O)NCCCC(C)C 11a_200000737386_100000183558 [0,2,0,0,0,0|1,0,0]=3 4263 B15R0.4652 CCOC(=O)CCC(=O)NCCCC(C)C 1626a_200000737386_100000183558 [0,2,0,0,0,0|1,0,0]=3 4264 B15R0.4652 CCOC(=O)CCC(=O)NCCCC(C)C 240690a_200000737386_100000183558 [0,2,0,0,0,0|1,0,0]=3 4265 B15R0.4652 CCOC(=O)CCC(=O)NCCCN(C)C 240690a_102531767803_100000183558 [0,2,0,0,0,0|2,0,0]=4 4266 B15R0.4652 CCOC(=O)CCC(=O)NCCCS(=O)C 11a_200000753449_100000183558 [0,2,0,0,0,0|2,0,0]=4 4267 B15R0.4652 CCOC(=O)CCC(=O)NCCCS(=O)C 240690a_200000753449_100000183558 [0,2,0,0,0,0|2,0,0]=4 4268 B15R0.4652 CCOC(=O)CCC(=O)NCCOC(C)C 11a_100000701111_100000183558 [0,2,0,0,0,0|2,0,0]=4 4269 B15R0.4652 CCOC(=O)CCC(=O)NCCOC(C)C 1626a_100000701111_100000183558 [0,2,0,0,0,0|2,0,0]=4 4270 B15R0.4652 CCOC(=O)CCC(=O)NCCOC(C)C 240690a_100000701111_100000183558 [0,2,0,0,0,0|2,0,0]=4 4271 B15R0.4652 CCOC(=O)CCC(=O)NCCSC(C)C 11a_100000731138_100000183558 [0,2,0,0,0,0|2,0,0]=4 4272 B15R0.4652 CCOC(=O)CCC(=O)NCCSC(C)C 1626a_100000731138_100000183558 [0,2,0,0,0,0|2,0,0]=4 4273 B15R0.4652 CCOC(=O)CCC(=O)NCCSC(C)C 240690a_100000731138_100000183558 [0,2,0,0,0,0|2,0,0]=4 4274 B15R0.4652 CCOC(=O)CCC(C)NCCCC(C)C 2230a_200000737386_100000748298 [0,2,0,0,0,0|1,0,1]=4 4275 B15R0.4652 CCOC(=O)CCC(C)NCCCC(C)C 34a_200000737386_100000748298 [0,2,0,0,0,0|1,0,1]=4 4276 B15R0.4652 CCOC(=O)CCC(C)OCCCC(C)C 34a_100000210774_100000748298 [0,2,0,0,0,0|1,0,1]=4 4277 B15R0.4652 CCOC(=O)CCC(C)OCCCC(C)C 7a_100000210774_100000748298 [0,2,0,0,0,0|1,0,1]=4 4278 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)C 62a_100000748298_100011214892 [0,2,0,0,0,0|1,0,1]=4 4279 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)C 62a_100011214892_100000748298 [0,2,0,0,0,0|1,0,1]=4 4280 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)O 62a_100000748298_200000718107 [0,2,0,0,0,0|1,0,1]=4 4281 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)O 62a_200000718107_100000748298 [0,2,0,0,0,0|1,0,1]=4 4282 B15R0.4652 CCOC(=O)CCN(C)CCCCC(C)C 2230a_100000745921_100011216152 [0,2,0,0,0,0|1,0,1]=4 4283 B15R0.4652 CCOC(=O)CCN(C)CCCCC(C)C 269982a_100000745921_100011216152 [0,2,0,0,0,0|1,0,1]=4 4284 B15R0.4652 CCOC(=O)CNC(=O)CCCCC(C)C 188690a_100000741813_100011933920 [0,2,0,0,0,0|1,0,1]=4 4285 B15R0.4652 CCOC(=O)NCC(=O)CCCCC(C)C 1458a_100000190774_100011216152 [0,2,0,0,0,0|1,0,1]=4 4286 B15R0.4652 CCOC(=O)NCC(=O)NCCCC(C)C 11a_200000737386_100000190774 [0,2,0,0,0,0|2,0,0]=4 4287 B15R0.4652 CCOC(=O)NCC(=O)NCCCC(C)C 1626a_200000737386_100000190774 [0,2,0,0,0,0|2,0,0]=4 4288 B15R0.4652 CCOC(=O)NCC(=O)NCCCC(C)C 240690a_200000737386_100000190774 [0,2,0,0,0,0|2,0,0]=4 4289 B15R0.4652 CCOC(=O)NCC(=O)NCCCC(C)C 527a_200000737386_100000190774 [0,2,0,0,0,0|2,0,0]=4 4290 B15R0.69 C=CCCC/C=C/COCC(=O)OC(C)C 34a_200016268473_100011215430 [0,2,0,0,0,0|0,0,2]=4 4291 B15R0.69 C=CCCC/C=C/COCC(=O)OC(C)C 7a_200016268473_100011215430 [0,2,0,0,0,0|0,0,2]=4 4292 B15R0.69 CC(C)OC(=O)CCNCCCCCCO 2230a_100000686447_100000760027 [0,2,0,0,0,0|1,0,1]=4 4293 B15R0.69 CC(C)OC(=O)CCOCCCCCCBr 7a_100011215345_100000760027 [0,2,0,0,0,0|1,0,1]=4 4294 B15R0.69 CC(C)OC(=O)CCOCCCCCCCl 7a_100000766143_100000760027 [0,2,0,0,0,0|1,0,1]=4 4295 B15R0.69 CC(C)OC(=O)CCOCCCCCCF 7a_100000732779_100000760027 [0,2,0,0,0,0|1,0,1]=4 4296 B15R0.69 CC(C)OC(=O)CCSCCCCCCF 62a_100000760027_100015922095 [0,2,0,0,0,0|1,0,1]=4 4297 B15R0.69 CC(C)OC(=O)CCSCCCCCCF 62a_100015922095_100000760027 [0,2,0,0,0,0|1,0,1]=4 4298 B15R0.69 CC(C)OC(=O)CCSCCCCCCO 62a_100000760027_100000766143 [0,2,0,0,0,0|1,0,1]=4 4299 B15R0.69 CC(C)OC(=O)CCSCCCCCCO 62a_100000766143_100000760027 [0,2,0,0,0,0|1,0,1]=4 4300 B15R0.69 CCC/C=C/C=C/COCC(=O)OC(C)C 34a_100016294078_100011215430 [0,2,0,0,0,0|0,0,2]=4 4301 B15R0.69 CCCC/C=C/COCCC(=O)OC(C)C 7a_200016272032_100000760027 [0,2,0,0,0,0|0,0,2]=4 4302 B15R0.69 CCCC/C=C\CCOCC(=O)OC(C)C 34a_200016286491_100011215430 [0,2,0,0,0,0|0,0,2]=4 4303 B15R0.69 CCCC/C=C\CCOCC(=O)OC(C)C 7a_200016286491_100011215430 [0,2,0,0,0,0|0,0,2]=4 4304 B15R0.69 CCCCC/C=C/COCC(=O)NC(=O)C 7a_100016258190_100000183797 [0,2,0,0,0,0|1,0,1]=4 4305 B15R0.69 CCCCC/C=C/COCC(=O)NC(C)C 34a_100016258190_100000183996 [0,2,0,0,0,0|1,0,0]=3 4306 B15R0.69 CCCCC/C=C/COCC(=O)NC(C)C 7a_100016258190_100000183996 [0,2,0,0,0,0|1,0,0]=3 4307 B15R0.69 CCCCC/C=C/COCC(=O)OC(C)C 34a_100016258190_100011215430 [0,2,0,0,0,0|0,0,0]=2 4308 B15R0.69 CCCCC/C=C/COCC(=O)OC(C)C 7a_100016258190_100011215430 [0,2,0,0,0,0|0,0,0]=2 4309 B15R0.69 CCCCCC#CCOCC(=O)OC(C)C 34a_200000033628_100011215430 [0,2,0,0,0,0|0,0,2]=4 4310 B15R0.69 CCCCCC#CCOCC(=O)OC(C)C 7a_200000033628_100011215430 [0,2,0,0,0,0|0,0,2]=4 4311 B15R0.69 CCCCCC#CCSCC(=O)OC(C)C 62a_100009816472_100011215430 [0,2,0,0,0,0|0,0,2]=4 4312 B15R0.69 CCCCCC#CCSCC(=O)OC(C)C 62a_100011215430_100009816472 [0,2,0,0,0,0|0,0,2]=4 4313 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 2230a_100000229939_100011215430 [0,2,0,0,0,0|0,0,2]=4 4314 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 34a_100000229939_100011215430 [0,2,0,0,0,0|0,0,2]=4 4315 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 34a_100000210232_100011215430 [0,2,0,0,0,0|0,0,2]=4 4316 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 7a_100000210232_100011215430 [0,2,0,0,0,0|0,0,2]=4 4317 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100000210759_100011215430 [0,2,0,0,0,0|0,0,2]=4 4318 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210317 [0,2,0,0,0,0|0,0,2]=4 4319 B15R0.69 CCCCCCCNCCC(=O)OC(C)C 2230a_100000229938_100000760027 [0,2,0,0,0,0|0,0,2]=4 4320 B15R0.69 CCCCCCCOCCC(=O)OC(C)C 7a_100000210272_100000760027 [0,2,0,0,0,0|0,0,2]=4 4321 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000210614_100000760027 [0,2,0,0,0,0|0,0,2]=4 4322 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210316 [0,2,0,0,0,0|0,0,2]=4 4323 B15R0.69 CCCCCNCCOCC(=O)OC(C)C 34a_100000224656_100011215430 [0,2,0,0,0,0|1,0,1]=4 4324 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 34a_100011215259_100011215430 [0,2,0,0,0,0|1,0,1]=4 4325 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 7a_100011215259_100011215430 [0,2,0,0,0,0|1,0,1]=4 4326 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 2230a_100000102301_200010986244 [0,2,0,0,0,0|0,0,2]=4 4327 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 7a_106832991798_200010986244 [0,2,0,0,0,0|0,0,2]=4 4328 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 34a_100000210227_200010986244 [0,2,0,0,0,0|0,0,2]=4 4329 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 7a_100000210227_200010986244 [0,2,0,0,0,0|0,0,2]=4 4330 B15R0.69 CCCCOCCOCCC(=O)OC(C)C 7a_100000210238_100000760027 [0,2,0,0,0,0|1,0,1]=4 4331 B15R0.69 CCCCOCCSCCC(=O)OC(C)C 62a_100000743108_100000760027 [0,2,0,0,0,0|1,0,1]=4 4332 B15R0.69 CCCCOCCSCCC(=O)OC(C)C 62a_100000760027_100000743108 [0,2,0,0,0,0|1,0,1]=4 4333 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_100000210211_200010986244 [0,2,0,0,0,0|0,0,2]=4 4334 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210210 [0,2,0,0,0,0|0,0,2]=4 4335 B15R0.69 CCCCSCCNCCC(=O)OC(C)C 2230a_100025743550_100000760027 [0,2,0,0,0,0|1,0,1]=4 4336 B15R0.69 CCCCSCCOCCC(=O)OC(C)C 7a_200000230436_100000760027 [0,2,0,0,0,0|1,0,1]=4 4337 B15R0.69 CCCOCCCNCCC(=O)OC(C)C 2230a_100011217757_100000760027 [0,2,0,0,0,0|1,0,1]=4 4338 B15R0.69 COCCCCCNCCC(=O)OC(C)C 2230a_100000747528_100000760027 [0,2,0,0,0,0|1,0,1]=4 4339 B15R0.226 CC(C)CCCCOCCC(=O)OC(C)C 7a_100011214890_100000760027 [0,2,0,0,0,0|1,0,1]=4 4340 B15R0.226 CC(C)CCCCSCCC(=O)OC(C)C 62a_100000760027_100011216152 [0,2,0,0,0,0|1,0,1]=4 4341 B15R0.226 CC(C)CCCCSCCC(=O)OC(C)C 62a_100011216152_100000760027 [0,2,0,0,0,0|1,0,1]=4 4342 B15R0.372 CCCCCC(=O)CSCC(=O)OC(C)C 62a_100011215430_200012276598 [0,2,0,0,0,0|1,0,1]=4 4343 B15R0.372 CCCCCC(=O)CSCC(=O)OC(C)C 62a_200012276598_100011215430 [0,2,0,0,0,0|1,0,1]=4 4344 B15R0.372 CCCCCC(C)NCCC(=O)OC(C)C 2230a_100000211957_100000760027 [0,2,0,0,0,0|1,0,1]=4 4345 B15R0.372 CCCCCC(C)OCCC(=O)OC(C)C 7a_100011215632_100000760027 [0,2,0,0,0,0|1,0,1]=4 4346 B15R0.372 CCCCCC(C)SCCC(=O)OC(C)C 62a_100000760027_200011218191 [0,2,0,0,0,0|1,0,1]=4 4347 B15R0.372 CCCCCC(C)SCCC(=O)OC(C)C 62a_200011218191_100000760027 [0,2,0,0,0,0|1,0,1]=4 4348 B15R0.3221 C#CC(C)NC(=O)CC/C=C/CCCCC 11a_100000707721_200015255902 [0,2,0,0,0,0|1,0,0]=3 4349 B15R0.3221 C#CC(C)NC(=O)CC/C=C/CCCCC 1626a_100000707721_200015255902 [0,2,0,0,0,0|1,0,0]=3 4350 B15R0.3221 C#CC(C)NC(=O)CC/C=C/CCCCC 240690a_100000707721_200015255902 [0,2,0,0,0,0|1,0,0]=3 4351 B15R0.3221 C#CC(C)NC(=O)CC/C=C/CCCCC 527a_100000707721_200015255902 [0,2,0,0,0,0|1,0,0]=3 4352 B15R0.3221 CCCCC/C=C/CCC(=O)CC(=O)CC 1458a_200015255902_100000747405 [0,2,0,0,0,0|1,0,0]=3 4353 B15R0.3221 CCCCC/C=C/CCC(=O)CC(=O)NC 1458a_200015255902_100000183359 [0,2,0,0,0,0|1,0,1]=4 4354 B15R0.3221 CCCCC/C=C/CCC(=O)CC(=O)OC 1458a_200015255902_100000747449 [0,2,0,0,0,0|1,0,1]=4 4355 B15R0.3221 CCCCC/C=C/CCC(=O)CC(C)CC 1458a_200015255902_100000748023 [0,2,0,0,0,0|1,0,0]=3 4356 B15R0.3221 CCCCC/C=C/CCC(=O)CC(O)CC 1458a_200015255902_100011218378 [0,2,0,0,0,0|1,0,0]=3 4357 B15R0.3221 CCCCC/C=C/CCC(=O)C[C@@H](C)CC 1458a_200015255902_100009816398 [0,2,0,0,0,0|1,0,0]=3 4358 B15R0.3221 CCCCC/C=C/CCC(=O)C[C@@H](C)CO 1458a_200015255902_100000059175 [0,2,0,0,0,0|1,0,0]=3 4359 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)C#N 11a_100000737613_200015255902 [0,2,0,0,0,0|1,0,0]=3 4360 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)C#N 1626a_100000737613_200015255902 [0,2,0,0,0,0|1,0,0]=3 4361 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)C#N 527a_100000737613_200015255902 [0,2,0,0,0,0|1,0,0]=3 4362 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)CC 11a_100000209981_200015255902 [0,2,0,0,0,0|1,0,0]=3 4363 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)CC 1626a_100000209981_200015255902 [0,2,0,0,0,0|1,0,0]=3 4364 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)CC 240690a_100000209981_200015255902 [0,2,0,0,0,0|1,0,0]=3 4365 B15R0.3221 CCCCC/C=C/CCC(=O)NC(C)CC 527a_100000209981_200015255902 [0,2,0,0,0,0|1,0,0]=3 4366 B15R0.3221 CCCCC/C=C/CCC(=O)N[C@H](C)CF 11a_100102880703_200015255902 [0,2,0,0,0,0|1,0,0]=3 4367 B15R0.3221 CCCCC/C=C/CCC(=O)N[C@H](C)CF 1626a_100102880703_200015255902 [0,2,0,0,0,0|1,0,0]=3 4368 B15R0.3221 CCCCC/C=C/CCC(=O)N[C@H](C)CF 240690a_100102880703_200015255902 [0,2,0,0,0,0|1,0,0]=3 4369 B15R0.3221 CCCCC/C=C/CCC(=O)N[C@H](C)CF 527a_100102880703_200015255902 [0,2,0,0,0,0|1,0,0]=3 4370 B15R0.3221 CCCCC/C=C/CCC(=O)N[C@H](C)CO 240690a_100000737577_200015255902 [0,2,0,0,0,0|1,0,0]=3 4371 B15R0.3221 CCCCC/C=C/CCC(=O)N[C@H](C)CO 527a_100000737577_200015255902 [0,2,0,0,0,0|1,0,0]=3 4372 B15R0.3232 CCCCC/C=C/CCC(=O)C[Si](C)(C)C 1458a_200015255902_100000233785 [0,2,0,0,0,0|1,1,0]=4 4373 B15R0.3232 CCCCC/C=C/CCC(=O)NC(C)(C)C 11a_100000715429_200015255902 [0,2,0,0,0,0|1,0,0]=3 4374 B15R0.3232 CCCCC/C=C/CCC(=O)NC(C)(C)C 1626a_100000715429_200015255902 [0,2,0,0,0,0|1,0,0]=3 4375 B15R0.3232 CCCCC/C=C/CCC(=O)NC(C)(C)C 240690a_100000715429_200015255902 [0,2,0,0,0,0|1,0,0]=3 4376 B15R0.3232 CCCCC/C=C/CCC(=O)NC(C)(C)C 527a_100000715429_200015255902 [0,2,0,0,0,0|1,0,0]=3 4377 B15R0.3232 CCCCC/C=C/CCC(=O)NS(=O)(=O)C 2740a_100000171171_200015255902 [0,2,0,0,0,0|2,0,0]=4 4378 B15R0.3232 CCCCCCNCCC(=O)OC(C)(C)C 2230a_100000210581_100009816755 [0,2,0,0,0,0|1,0,1]=4 4379 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 34a_100000210259_100009816755 [0,2,0,0,0,0|1,0,1]=4 4380 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210314 [0,2,0,0,0,0|1,0,1]=4 4381 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 7a_100000210259_100009816755 [0,2,0,0,0,0|1,0,1]=4 4382 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210314 [0,2,0,0,0,0|1,0,1]=4 4383 B15R0.3232 CCCCCCSCCC(=O)OC(C)(C)C 62a_100000210314_100009816755 [0,2,0,0,0,0|1,0,1]=4 4384 B15R0.3232 CCCCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210757 [0,2,0,0,0,0|1,0,1]=4 4385 B15R0.3232 CCCCCNCCCC(=O)OC(C)(C)C 2230a_100000209983_100000708543 [0,2,0,0,0,0|1,0,1]=4 4386 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000718602 [0,2,0,0,0,0|1,0,1]=4 4387 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 34a_100000210253_100000708543 [0,2,0,0,0,0|1,0,1]=4 4388 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210326 [0,2,0,0,0,0|1,0,1]=4 4389 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 7a_100000210253_100000708543 [0,2,0,0,0,0|1,0,1]=4 4390 B15R0.3232 CCCCCSCCCC(=O)OC(C)(C)C 62a_100000210326_100000708543 [0,2,0,0,0,0|1,0,1]=4 4391 B15R0.3232 CCCCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210326 [0,2,0,0,0,0|1,0,1]=4 4392 B15R0.3232 CCCCNN=CCCC(=O)OC(C)(C)C 4a_100025702795_200009864801 [0,2,0,0,0,0|2,0,0]=4 4393 B15R0.3232 CCCOC/C=C/CNC(=O)OC(C)(C)C 34a_100016267507_100000210303 [0,2,0,0,0,0|2,0,0]=4 4394 B15R0.18 C#CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100010269958 [0,2,0,0,0,0|0,0,2]=4 4395 B15R0.18 C#CCCCCC(=O)CCCC(=O)OCC 1458a_100000696528_100011215271 [0,2,0,0,0,0|0,0,2]=4 4396 B15R0.18 C#CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000696528 [0,2,0,0,0,0|1,0,1]=4 4397 B15R0.18 C=CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215482 [0,2,0,0,0,0|0,0,2]=4 4398 B15R0.18 C=CCCCCC(=O)CCCC(=O)OCC 1458a_100011215552_100011215271 [0,2,0,0,0,0|0,0,2]=4 4399 B15R0.18 C=CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100011215552 [0,2,0,0,0,0|1,0,1]=4 4400 B15R0.18 CC/C=C\CCC(=O)CCCC(=O)OCC 1458a_100000210991_100015370543 [0,2,0,0,0,0|0,0,2]=4 4401 B15R0.18 CCC/C=C/CC(=O)CCCC(=O)OCC 1458a_200016266809_100011215271 [0,2,0,0,0,0|0,0,2]=4 4402 B15R0.18 CCC/C=C/CC(=O)NCCC(=O)OCC 188690a_100000746078_200016266809 [0,2,0,0,0,0|1,0,1]=4 4403 B15R0.18 CCCCC=CC(=O)CCCC(=O)OCC 1458a_100016266645_100011215271 [0,2,0,0,0,0|0,0,1]=3 4404 B15R0.18 CCCCC=CC(=O)CCNC(=O)OCC 1458a_100016266645_200011445536 [0,2,0,0,0,0|0,0,1]=3 4405 B15R0.18 CCCCC=CC(=O)NCCC(=O)NCC 11a_100025743525_100016266645 [0,2,0,0,0,0|1,0,1]=4 4406 B15R0.18 CCCCC=CC(=O)NCCC(=O)NCC 1626a_100025743525_100016266645 [0,2,0,0,0,0|1,0,1]=4 4407 B15R0.18 CCCCC=CC(=O)NCCC(=O)NCC 240690a_100025743525_100016266645 [0,2,0,0,0,0|1,0,1]=4 4408 B15R0.18 CCCCC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100016266645 [0,2,0,0,0,0|0,0,1]=3 4409 B15R0.18 CCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210757 [0,2,0,0,0,0|1,0,1]=4 4410 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210757 [0,2,0,0,0,0|0,0,1]=3 4411 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100102632555_100011215271 [0,2,0,0,0,0|0,0,1]=3 4412 B15R0.18 CCCCCCC(=O)CCNC(=O)OCC 1458a_100102632555_200011445536 [0,2,0,0,0,0|0,0,1]=3 4413 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 4414 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 4415 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 4416 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 4417 B15R0.18 CCCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100102632555 [0,2,0,0,0,0|0,0,1]=3 4418 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 2230a_100000210919_100011206558 [0,2,0,0,0,0|0,0,2]=4 4419 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 34a_100000210919_100000765890 [0,2,0,0,0,0|0,0,2]=4 4420 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 34a_100000210265_100000765890 [0,2,0,0,0,0|0,0,2]=4 4421 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 7a_100000210265_100011206558 [0,2,0,0,0,0|0,0,2]=4 4422 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100000765890_100011215978 [0,2,0,0,0,0|0,0,2]=4 4423 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100011215978_100000765890 [0,2,0,0,0,0|0,0,2]=4 4424 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 2230a_106256046315_100009991533 [0,2,0,0,0,0|0,0,2]=4 4425 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 269982a_106256046315_100009991533 [0,2,0,0,0,0|0,0,2]=4 4426 B15R0.18 CCCCCCN(C)CCNC(=O)OCC 269982a_106256046315_200011445536 [0,2,0,0,0,0|1,0,1]=4 4427 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 11a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 4428 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 1626a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 4429 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 240690a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 4430 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 527a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 4431 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 11a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 4432 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 1626a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 4433 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 240690a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 4434 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 527a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 4435 B15R0.18 CCCCCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000230301 [0,2,0,0,0,0|2,0,0]=4 4436 B15R0.18 CCCCCNC(=O)CSCC(=O)CCC 62a_100000230301_100000747444 [0,2,0,0,0,0|2,0,0]=4 4437 B15R0.18 CCCCCNC(=O)CSCC(=O)CCC 62a_100000747444_100000230301 [0,2,0,0,0,0|2,0,0]=4 4438 B15R0.18 CCCCCNC(=O)CSCC(=O)NCC 62a_100000183381_100000230301 [0,2,0,0,0,0|2,0,0]=4 4439 B15R0.18 CCCCCNC(=O)CSCC(=O)NCC 62a_100000230301_100000183381 [0,2,0,0,0,0|2,0,0]=4 4440 B15R0.18 CCCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000230301 [0,2,0,0,0,0|1,0,0]=3 4441 B15R0.18 CCCCCNC(=O)CSCC(=O)OCC 62a_100000230301_100000188475 [0,2,0,0,0,0|1,0,0]=3 4442 B15R0.18 CCCCCNC(=O)NCCC(=O)NCC 2708a_100000209983_100025743525 [0,2,0,0,0,0|2,0,0]=4 4443 B15R0.18 CCCCCNC(=O)NCCC(=O)NCC 273464a_100000209983_100025743525 [0,2,0,0,0,0|2,0,0]=4 4444 B15R0.18 CCCCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100000209983 [0,2,0,0,0,0|2,0,0]=4 4445 B15R0.18 CCCCCNC(=O)NCCC(=O)NCC 512a_100000209983_100025743525 [0,2,0,0,0,0|2,0,0]=4 4446 B15R0.18 CCCCCNC(=O)NCCC(=O)NCC 512a_100025743525_100000209983 [0,2,0,0,0,0|2,0,0]=4 4447 B15R0.18 CCCCNN=C(C)CCCC(=O)OCC 4a_100025702795_100000032325 [0,2,0,0,0,0|1,0,1]=4 4448 B15R0.18 CCCCNNC(=O)CCCC(=O)OCC 22a_100025702795_100000210991 [0,2,0,0,0,0|1,0,1]=4 4449 B15R0.18 CCCCOCC(=O)CCCC(=O)NCC 1458a_100000199580_100011995733 [0,2,0,0,0,0|1,0,1]=4 4450 B15R0.18 CCCCOCC(=O)CCCC(=O)OCC 1458a_100000210991_100011995733 [0,2,0,0,0,0|0,0,1]=3 4451 B15R0.18 CCCCOCC(=O)CCCC(=O)OCC 1458a_100000757543_100011215271 [0,2,0,0,0,0|0,0,1]=3 4452 B15R0.18 CCCCOCC(=O)CCNC(=O)OCC 1458a_100000757543_200011445536 [0,2,0,0,0,0|1,0,1]=4 4453 B15R0.18 CCCCOCC(=O)NCCC(=O)NCC 11a_100025743525_100000757543 [0,2,0,0,0,0|2,0,0]=4 4454 B15R0.18 CCCCOCC(=O)NCCC(=O)NCC 1626a_100025743525_100000757543 [0,2,0,0,0,0|2,0,0]=4 4455 B15R0.18 CCCCOCC(=O)NCCC(=O)NCC 240690a_100025743525_100000757543 [0,2,0,0,0,0|2,0,0]=4 4456 B15R0.18 CCCCOCC(=O)NCCC(=O)NCC 527a_100025743525_100000757543 [0,2,0,0,0,0|2,0,0]=4 4457 B15R0.18 CCCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000757543 [0,2,0,0,0,0|1,0,0]=3 4458 B15R0.18 CCCCOCC(C)OCCC(=O)OCC 34a_100011217071_100000765890 [0,2,0,0,0,0|1,0,1]=4 4459 B15R0.18 CCCCOCC(C)OCCC(=O)OCC 7a_100011217071_100011206558 [0,2,0,0,0,0|1,0,1]=4 4460 B15R0.18 CCCCSCC(=O)CCCC(=O)OCC 1458a_100000191162_100011215271 [0,2,0,0,0,0|0,0,1]=3 4461 B15R0.18 CCCCSCC(=O)CCNC(=O)OCC 1458a_100000191162_200011445536 [0,2,0,0,0,0|1,0,1]=4 4462 B15R0.18 CCCCSCC(=O)NCCC(=O)NCC 11a_100025743525_100000191162 [0,2,0,0,0,0|2,0,0]=4 4463 B15R0.18 CCCCSCC(=O)NCCC(=O)NCC 1626a_100025743525_100000191162 [0,2,0,0,0,0|2,0,0]=4 4464 B15R0.18 CCCCSCC(=O)NCCC(=O)NCC 240690a_100025743525_100000191162 [0,2,0,0,0,0|2,0,0]=4 4465 B15R0.18 CCCCSCC(=O)NCCC(=O)NCC 527a_100025743525_100000191162 [0,2,0,0,0,0|2,0,0]=4 4466 B15R0.18 CCCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000191162 [0,2,0,0,0,0|1,0,0]=3 4467 B15R0.18 CCCOCCC(=O)CCCC(=O)NCC 1458a_100000199580_100011215938 [0,2,0,0,0,0|1,0,1]=4 4468 B15R0.18 CCCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215938 [0,2,0,0,0,0|0,0,1]=3 4469 B15R0.18 CCNC(=O)CCCC(=O)CCCCCF 1458a_100000199580_100000729378 [0,2,0,0,0,0|1,0,1]=4 4470 B15R0.18 CCNC(=O)CCCC(=O)CCCCCO 1458a_100000199580_100000746330 [0,2,0,0,0,0|1,0,1]=4 4471 B15R0.18 CCNC(=O)CCCC(=O)CCCCOC 1458a_100000199580_100000755781 [0,2,0,0,0,0|1,0,1]=4 4472 B15R0.18 CCNC(=O)CCCC(=O)CCCOCC 1458a_100000199580_100012232248 [0,2,0,0,0,0|1,0,1]=4 4473 B15R0.18 CCNC(=O)CCNC(=O)CCCCCO 240690a_100025743525_100102619762 [0,2,0,0,0,0|2,0,0]=4 4474 B15R0.18 CCOC(=O)CCCC(=O)CCCCC#N 1458a_100000210991_100000211819 [0,2,0,0,0,0|0,0,2]=4 4475 B15R0.18 CCOC(=O)CCCC(=O)CCCCCF 1458a_100000210991_100000729378 [0,2,0,0,0,0|0,0,1]=3 4476 B15R0.18 CCOC(=O)CCCC(=O)CCCCCO 1458a_100000210991_100000746330 [0,2,0,0,0,0|0,0,1]=3 4477 B15R0.18 CCOC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215271 [0,2,0,0,0,0|0,0,1]=3 4478 B15R0.18 CCOC(=O)CCCC(=O)CCCCOC 1458a_100000210991_100000755781 [0,2,0,0,0,0|0,0,1]=3 4479 B15R0.18 CCOC(=O)CCCC(=O)CCOCCO 1458a_100000210991_100011215305 [0,2,0,0,0,0|1,0,1]=4 4480 B15R0.18 CCOC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100011215271 [0,2,0,0,0,0|1,0,1]=4 4481 B15R0.18 CCOC(=O)CCCC(=O)COCCOC 1458a_100000211095_100011215271 [0,2,0,0,0,0|1,0,1]=4 4482 B15R0.18 CCOC(=O)CCCC(=O)NCCCCO 240690a_100000750430_100000210991 [0,2,0,0,0,0|1,0,1]=4 4483 B15R0.18 CCOC(=O)CCCC(=O)NCCCCO 527a_100000750430_100000210991 [0,2,0,0,0,0|1,0,1]=4 4484 B15R0.18 CCOC(=O)CCCC(=O)NCCCOC 1626a_100150723488_100000210991 [0,2,0,0,0,0|1,0,1]=4 4485 B15R0.18 CCOC(=O)CCCC(=O)NCCCOC 240690a_100150723488_100000210991 [0,2,0,0,0,0|1,0,1]=4 4486 B15R0.18 CCOC(=O)CCCC(=O)NCCCOC 527a_100150723488_100000210991 [0,2,0,0,0,0|1,0,1]=4 4487 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 11a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 4488 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 1626a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 4489 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 240690a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 4490 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 527a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 4491 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 11a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 4492 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 1626a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 4493 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 240690a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 4494 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 527a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 4495 B15R0.18 CCOC(=O)CCCN(C)CCCCCO 2230a_100000722520_100009991533 [0,2,0,0,0,0|1,0,1]=4 4496 B15R0.18 CCOC(=O)CCCN(C)CCCCCO 269982a_100000722520_100009991533 [0,2,0,0,0,0|1,0,1]=4 4497 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO 188690a_100000746078_100102619762 [0,2,0,0,0,0|1,0,0]=3 4498 B15R0.18 CCOC(=O)CCNC(=O)CCOCCO 188690a_100000746078_100011229844 [0,2,0,0,0,0|2,0,0]=4 4499 B15R0.18 CCOC(=O)CCNC(=O)COCCOC 188690a_100000746078_100000211095 [0,2,0,0,0,0|2,0,0]=4 4500 B15R0.18 CCOC(=O)CSCC(=O)NCCCOC 62a_100000183178_100000188475 [0,2,0,0,0,0|2,0,0]=4 4501 B15R0.18 CCOC(=O)NCCC(=O)CCCCCO 1458a_100102619762_200011445536 [0,2,0,0,0,0|1,0,1]=4 4502 B15R0.18 CCOCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100012232248 [0,2,0,0,0,0|0,0,1]=3 4503 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 11a_100011200944_100000210991 [0,2,0,0,0,0|1,0,1]=4 4504 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 1626a_102516460346_100000210991 [0,2,0,0,0,0|1,0,1]=4 4505 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 240690a_100011200944_100000210991 [0,2,0,0,0,0|1,0,1]=4 4506 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 527a_100011200944_100000210991 [0,2,0,0,0,0|1,0,1]=4 4507 B15R0.18 CCOCCOC(=O)CSCC(=O)OCC 62a_100000188475_200000101388 [0,2,0,0,0,0|2,0,0]=4 4508 B15R0.18 CCOCCOC(=O)CSCC(=O)OCC 62a_200000101388_100000188475 [0,2,0,0,0,0|2,0,0]=4 4509 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|0,0,2]=4 4510 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|0,0,2]=4 4511 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|0,0,2]=4 4512 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010175975 [0,2,0,0,0,0|0,0,2]=4 4513 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010175975 [0,2,0,0,0,0|0,0,2]=4 4514 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 2230a_100138425928_100009991516 [0,2,0,0,0,0|0,0,2]=4 4515 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 34a_100138425928_100009991516 [0,2,0,0,0,0|0,0,2]=4 4516 B15R0.111 CCOC(=O)CCCCCCCOC(C)C 34a_100000212225_100009991516 [0,2,0,0,0,0|0,0,2]=4 4517 B15R0.111 CCOC(=O)CCCCCCCSC(C)C 62a_100000210206_100009991516 [0,2,0,0,0,0|0,0,2]=4 4518 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009814379 [0,2,0,0,0,0|0,0,2]=4 4519 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 34a_100000210953_100009814379 [0,2,0,0,0,0|0,0,2]=4 4520 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009814379 [0,2,0,0,0,0|0,0,2]=4 4521 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 34a_100000210904_100009814379 [0,2,0,0,0,0|0,0,2]=4 4522 B15R0.111 CCOC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009814379 [0,2,0,0,0,0|0,0,2]=4 4523 B15R0.111 CCOC(=O)CCCCCCOCC(C)C 34a_100000210257_100009814379 [0,2,0,0,0,0|0,0,2]=4 4524 B15R0.111 CCOC(=O)CCCCCCOCC(C)F 34a_100015925927_100009814379 [0,2,0,0,0,0|0,0,2]=4 4525 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009814379 [0,2,0,0,0,0|0,0,2]=4 4526 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009814379 [0,2,0,0,0,0|0,0,2]=4 4527 B15R0.111 CCOC(=O)CCCCCCSCC(C)C 62a_100000210624_100009814379 [0,2,0,0,0,0|0,0,2]=4 4528 B15R0.111 CCOC(=O)CCCCCCSCC(C)O 62a_100011218427_100009814379 [0,2,0,0,0,0|0,0,2]=4 4529 B15R0.111 CCOC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009814379 [0,2,0,0,0,0|0,0,2]=4 4530 B15R0.111 CCOC(=O)CCCCCNCCC(C)O 2230a_200000755665_100000755133 [0,2,0,0,0,0|0,0,2]=4 4531 B15R0.111 CCOC(=O)CCCCCOCCC(C)Br 34a_100009893172_100000755133 [0,2,0,0,0,0|0,0,2]=4 4532 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 34a_100000210254_100000755133 [0,2,0,0,0,0|0,0,2]=4 4533 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100000210254_100000755133 [0,2,0,0,0,0|0,0,2]=4 4534 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100011214988_100000210626 [0,2,0,0,0,0|0,0,2]=4 4535 B15R0.111 CCOC(=O)CCCCCOCCC(C)O 7a_100011214988_100012276601 [0,2,0,0,0,0|0,0,2]=4 4536 B15R0.111 CCOC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100000755133 [0,2,0,0,0,0|0,0,2]=4 4537 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000210312_100000755133 [0,2,0,0,0,0|0,0,2]=4 4538 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000755133_100000210312 [0,2,0,0,0,0|0,0,2]=4 4539 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100000755133_100012276601 [0,2,0,0,0,0|0,0,2]=4 4540 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100012276601_100000755133 [0,2,0,0,0,0|0,0,2]=4 4541 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000750268 [0,2,0,0,0,0|0,0,2]=4 4542 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 34a_200000737386_100000750268 [0,2,0,0,0,0|0,0,2]=4 4543 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 34a_100000210774_100000750268 [0,2,0,0,0,0|0,0,2]=4 4544 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 7a_100000210774_100000750268 [0,2,0,0,0,0|0,0,2]=4 4545 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100000750268_100011214892 [0,2,0,0,0,0|0,0,2]=4 4546 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100011214892_100000750268 [0,2,0,0,0,0|0,0,2]=4 4547 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_100000750268_200000718107 [0,2,0,0,0,0|0,0,2]=4 4548 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_200000718107_100000750268 [0,2,0,0,0,0|0,0,2]=4 4549 B15R0.111 CCOC(=O)CCCNCCCOC(C)C 2230a_100000737246_100009991533 [0,2,0,0,0,0|1,0,1]=4 4550 B15R0.111 CCOC(=O)CCCNCCCOC(C)C 34a_100000737246_100009991533 [0,2,0,0,0,0|1,0,1]=4 4551 B15R0.111 CCOC(=O)CCCOCCCCC(=O)C 7a_100012001163_100000735457 [0,2,0,0,0,0|1,0,1]=4 4552 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 34a_100011214890_100009991533 [0,2,0,0,0,0|0,0,2]=4 4553 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215271 [0,2,0,0,0,0|0,0,2]=4 4554 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100012001163_100011216152 [0,2,0,0,0,0|0,0,2]=4 4555 B15R0.111 CCOC(=O)CCCOCCCNC(C)C 34a_100000182298_100009991533 [0,2,0,0,0,0|1,0,1]=4 4556 B15R0.111 CCOC(=O)CCCOCCNCC(C)C 34a_100015185251_100009991533 [0,2,0,0,0,0|1,0,1]=4 4557 B15R0.111 CCOC(=O)CCCOCCOCC(C)C 34a_100000703358_100009991533 [0,2,0,0,0,0|1,0,1]=4 4558 B15R0.111 CCOC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215271 [0,2,0,0,0,0|1,0,1]=4 4559 B15R0.111 CCOC(=O)CCCOCCSCC(C)C 34a_200000230437_100009991533 [0,2,0,0,0,0|1,0,1]=4 4560 B15R0.111 CCOC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215271 [0,2,0,0,0,0|1,0,1]=4 4561 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100000735457_100009991533 [0,2,0,0,0,0|1,0,1]=4 4562 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100009991533_100000735457 [0,2,0,0,0,0|1,0,1]=4 4563 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100009991533_100011216152 [0,2,0,0,0,0|0,0,2]=4 4564 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100011216152_100009991533 [0,2,0,0,0,0|0,0,2]=4 4565 B15R0.111 CCOC(=O)CCCSCCCCN(C)C 62a_100009991533_100000690147 [0,2,0,0,0,0|1,0,1]=4 4566 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 2230a_100011290863_100011206558 [0,2,0,0,0,0|0,0,2]=4 4567 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 34a_100011290863_100000765890 [0,2,0,0,0,0|0,0,2]=4 4568 B15R0.111 CCOC(=O)CCNCCCOCC(C)C 2230a_100000205972_100011206558 [0,2,0,0,0,0|1,0,1]=4 4569 B15R0.111 CCOC(=O)CCNCCCOCC(C)C 34a_100000205972_100000765890 [0,2,0,0,0,0|1,0,1]=4 4570 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 34a_100011995859_100000765890 [0,2,0,0,0,0|0,0,2]=4 4571 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 7a_100011995859_100011206558 [0,2,0,0,0,0|0,0,2]=4 4572 B15R0.111 CCOC(=O)CCOCCCCNC(C)C 34a_100011521146_100000765890 [0,2,0,0,0,0|1,0,1]=4 4573 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000210682_100000765890 [0,2,0,0,0,0|0,0,2]=4 4574 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000765890_100000210682 [0,2,0,0,0,0|0,0,2]=4 4575 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000188475 [0,2,0,0,0,0|0,0,2]=4 4576 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000188475 [0,2,0,0,0,0|0,0,2]=4 4577 B15R0.111 CCOC(=O)COCCNCCCC(C)C 2230a_200000737386_100000088970 [0,2,0,0,0,0|1,0,1]=4 4578 B15R0.111 CCOC(=O)COCCNCCCC(C)C 34a_200000737386_100000088970 [0,2,0,0,0,0|1,0,1]=4 4579 B15R0.111 CCOC(=O)COCCOCCCC(C)C 34a_100000210774_100000088970 [0,2,0,0,0,0|1,0,1]=4 4580 B15R0.111 CCOC(=O)COCCOCCCC(C)C 7a_100000210774_100000088970 [0,2,0,0,0,0|1,0,1]=4 4581 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100000088970_100011214892 [0,2,0,0,0,0|1,0,1]=4 4582 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100011214892_100000088970 [0,2,0,0,0,0|1,0,1]=4 4583 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_100000088970_200000718107 [0,2,0,0,0,0|1,0,1]=4 4584 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_200000718107_100000088970 [0,2,0,0,0,0|1,0,1]=4 4585 B15R0.111 CCOC(=O)CSCCOCCCC(C)C 7a_200000230590_100011214892 [0,2,0,0,0,0|1,0,1]=4 4586 B15R0.111 CCOC(=O)CSCCOCCCC(C)O 7a_200000230590_200000718107 [0,2,0,0,0,0|1,0,1]=4 4587 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 34a_100000158857_100011216152 [0,2,0,0,0,0|1,0,1]=4 4588 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 7a_100011214890_200011445536 [0,2,0,0,0,0|1,0,1]=4 4589 B15R0.111 CCOC(=O)NCCSCCCCC(C)C 62a_100011216152_200011445536 [0,2,0,0,0,0|1,0,1]=4 4590 B15R0.366 C#CCCCCCCOCCC(=O)OCC 34a_100011217361_100000765890 [0,2,0,0,0,0|1,0,1]=4 4591 B15R0.366 C#CCCCCCCOCCC(=O)OCC 7a_100011217361_100011206558 [0,2,0,0,0,0|1,0,1]=4 4592 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100000765890_100012276617 [0,2,0,0,0,0|1,0,1]=4 4593 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100012276617_100000765890 [0,2,0,0,0,0|1,0,1]=4 4594 B15R0.366 C#CCCCCCOCCCC(=O)OCC 34a_100000766912_100009991533 [0,2,0,0,0,0|1,0,1]=4 4595 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100000766912_100011215271 [0,2,0,0,0,0|1,0,1]=4 4596 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100012001163_100012094781 [0,2,0,0,0,0|1,0,1]=4 4597 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100009991533_100012094781 [0,2,0,0,0,0|1,0,1]=4 4598 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100012094781_100009991533 [0,2,0,0,0,0|1,0,1]=4 4599 B15R0.366 C=CCCC/C=C/COCCC(=O)OCC 34a_200016268473_100000765890 [0,2,0,0,0,0|0,0,2]=4 4600 B15R0.366 C=CCCC/C=C/COCCC(=O)OCC 7a_200016268473_100011206558 [0,2,0,0,0,0|0,0,2]=4 4601 B15R0.366 C=CCCCCCCOCCC(=O)OCC 34a_200011216477_100000765890 [0,2,0,0,0,0|1,0,1]=4 4602 B15R0.366 C=CCCCCCCOCCC(=O)OCC 7a_200011216477_100011206558 [0,2,0,0,0,0|1,0,1]=4 4603 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100000765890_100011215473 [0,2,0,0,0,0|1,0,1]=4 4604 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100011215473_100000765890 [0,2,0,0,0,0|1,0,1]=4 4605 B15R0.366 C=CCCCCCOCCCC(=O)OCC 34a_100011216702_100009991533 [0,2,0,0,0,0|1,0,1]=4 4606 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100011216702_100011215271 [0,2,0,0,0,0|1,0,1]=4 4607 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100012001163_100000700193 [0,2,0,0,0,0|1,0,1]=4 4608 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100000700193_100009991533 [0,2,0,0,0,0|1,0,1]=4 4609 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100009991533_100000700193 [0,2,0,0,0,0|1,0,1]=4 4610 B15R0.366 C=COC(=O)COC/C=C/CCCCCC 34a_200016276170_100000036128 [0,2,0,0,0,0|0,0,2]=4 4611 B15R0.366 C=COC(=O)COCC/C=C\CCCCC 34a_100016277358_100000036128 [0,2,0,0,0,0|0,0,2]=4 4612 B15R0.366 CC/C=C/C/C=C/CCOCC(=O)OCC 34a_200016273837_100000188475 [0,2,0,0,0,0|0,0,2]=4 4613 B15R0.366 CC/C=C/C/C=C/CCOCC(=O)OCC 7a_200016273837_100000188475 [0,2,0,0,0,0|0,0,2]=4 4614 B15R0.366 CC/C=C/CC/C=C/COCC(=O)CCC 7a_100016264143_100000747444 [0,2,0,0,0,0|1,0,1]=4 4615 B15R0.366 CC/C=C/CC/C=C/COCC(=O)NCC 34a_100016264143_100000183381 [0,2,0,0,0,0|1,0,1]=4 4616 B15R0.366 CC/C=C/CC/C=C/COCC(=O)NCC 7a_100016264143_100000183381 [0,2,0,0,0,0|1,0,1]=4 4617 B15R0.366 CC/C=C/CC/C=C/COCC(=O)OCC 34a_100016264143_100000188475 [0,2,0,0,0,0|0,0,1]=3 4618 B15R0.366 CC/C=C/CC/C=C/COCC(=O)OCC 7a_100016264143_100000188475 [0,2,0,0,0,0|0,0,1]=3 4619 B15R0.366 CC/C=C/CCCOCCCC(=O)OCC 34a_100016287902_100009991533 [0,2,0,0,0,0|1,0,1]=4 4620 B15R0.366 CC/C=C/CCCOCCCC(=O)OCC 7a_100016287902_100011215271 [0,2,0,0,0,0|1,0,1]=4 4621 B15R0.366 CC/C=C\CCCCOCCC(=O)OCC 34a_100016287862_100000765890 [0,2,0,0,0,0|1,0,1]=4 4622 B15R0.366 CC/C=C\CCCCOCCC(=O)OCC 7a_100016287862_100011206558 [0,2,0,0,0,0|1,0,1]=4 4623 B15R0.366 CCC/C=C/C=C/COCCC(=O)OCC 34a_100016294078_100000765890 [0,2,0,0,0,0|0,0,2]=4 4624 B15R0.366 CCCC#CCCOCCCC(=O)OCC 34a_100000042726_100009991533 [0,2,0,0,0,0|1,0,1]=4 4625 B15R0.366 CCCC#CCCOCCCC(=O)OCC 7a_100000042726_100011215271 [0,2,0,0,0,0|1,0,1]=4 4626 B15R0.366 CCCC/C=C/COCCCC(=O)OCC 34a_200016272032_100009991533 [0,2,0,0,0,0|0,0,2]=4 4627 B15R0.366 CCCC/C=C/COCCCC(=O)OCC 7a_200016272032_100011215271 [0,2,0,0,0,0|0,0,2]=4 4628 B15R0.366 CCCC/C=C/COCCNC(=O)OCC 7a_200016272032_200011445536 [0,2,0,0,0,0|0,0,2]=4 4629 B15R0.366 CCCC/C=C\CCOCCC(=O)OCC 34a_200016286491_100000765890 [0,2,0,0,0,0|0,0,2]=4 4630 B15R0.366 CCCC/C=C\CCOCCC(=O)OCC 7a_200016286491_100011206558 [0,2,0,0,0,0|0,0,2]=4 4631 B15R0.366 CCCCC#CCCOCCC(=O)OCC 34a_100000037610_100000765890 [0,2,0,0,0,0|1,0,1]=4 4632 B15R0.366 CCCCC#CCCOCCC(=O)OCC 7a_100000037610_100011206558 [0,2,0,0,0,0|1,0,1]=4 4633 B15R0.366 CCCCC#CCOCCCC(=O)OCC 34a_200000034558_100009991533 [0,2,0,0,0,0|1,0,1]=4 4634 B15R0.366 CCCCC#CCOCCCC(=O)OCC 7a_200000034558_100011215271 [0,2,0,0,0,0|1,0,1]=4 4635 B15R0.366 CCCCC/C=C/COCCC(=O)NCC 7a_100016258190_100000737597 [0,2,0,0,0,0|1,0,0]=3 4636 B15R0.366 CCCCC/C=C/COCCC(=O)OCC 34a_100016258190_100000765890 [0,2,0,0,0,0|0,0,0]=2 4637 B15R0.366 CCCCC/C=C/COCCC(=O)OCC 7a_100016258190_100011206558 [0,2,0,0,0,0|0,0,0]=2 4638 B15R0.366 CCCCC/C=C/COCOC(=O)CCC 34a_100016258190_100000034017 [0,2,0,0,0,0|1,0,0]=3 4639 B15R0.366 CCCCC/C=C\CCOCC(=O)CCC 7a_100016277358_100000747444 [0,2,0,0,0,0|1,0,0]=3 4640 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 34a_100016277358_100000183381 [0,2,0,0,0,0|1,0,0]=3 4641 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 7a_100016277358_100000183381 [0,2,0,0,0,0|1,0,0]=3 4642 B15R0.366 CCCCC/C=C\CCOCC(=O)NCO 34a_100016277358_100000185155 [0,2,0,0,0,0|2,0,0]=4 4643 B15R0.366 CCCCC/C=C\CCOCC(=O)NCO 7a_100016277358_100000185155 [0,2,0,0,0,0|2,0,0]=4 4644 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 34a_100016277358_100000188475 [0,2,0,0,0,0|0,0,0]=2 4645 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 7a_100016277358_100000188475 [0,2,0,0,0,0|0,0,0]=2 4646 B15R0.366 CCCCCC#CCCOCC(=O)OCC 34a_200000042877_100000188475 [0,2,0,0,0,0|0,0,2]=4 4647 B15R0.366 CCCCCC#CCCOCC(=O)OCC 7a_200000042877_100000188475 [0,2,0,0,0,0|0,0,2]=4 4648 B15R0.366 CCCCCC#CCOCCC(=O)OCC 34a_200000033628_100000765890 [0,2,0,0,0,0|0,0,2]=4 4649 B15R0.366 CCCCCC#CCOCCC(=O)OCC 7a_200000033628_100011206558 [0,2,0,0,0,0|0,0,2]=4 4650 B15R0.366 CCCCCC#CCSCCC(=O)OCC 62a_100000765890_100009816472 [0,2,0,0,0,0|0,0,2]=4 4651 B15R0.366 CCCCCC#CCSCCC(=O)OCC 62a_100009816472_100000765890 [0,2,0,0,0,0|0,0,2]=4 4652 B15R0.366 CCCCCC#CCSCOC(=O)OCC 62a_100009816472_100000075025 [0,2,0,0,0,0|0,0,2]=4 4653 B15R0.366 CCCCCC/C=C/COCC(=O)CCC 7a_200016276170_100000747444 [0,2,0,0,0,0|1,0,0]=3 4654 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 34a_200016276170_100000183381 [0,2,0,0,0,0|1,0,0]=3 4655 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 7a_200016276170_100000183381 [0,2,0,0,0,0|1,0,0]=3 4656 B15R0.366 CCCCCC/C=C/COCC(=O)NCO 34a_200016276170_100000185155 [0,2,0,0,0,0|2,0,0]=4 4657 B15R0.366 CCCCCC/C=C/COCC(=O)NCO 7a_200016276170_100000185155 [0,2,0,0,0,0|2,0,0]=4 4658 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 34a_200016276170_100000188475 [0,2,0,0,0,0|0,0,0]=2 4659 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 7a_200016276170_100000188475 [0,2,0,0,0,0|0,0,0]=2 4660 B15R0.366 CCCCCCC#CCOCC(=O)OCC 34a_200000037284_100000188475 [0,2,0,0,0,0|0,0,2]=4 4661 B15R0.366 CCCCCCC#CCOCC(=O)OCC 7a_200000037284_100000188475 [0,2,0,0,0,0|0,0,2]=4 4662 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|0,0,2]=4 4663 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|0,0,2]=4 4664 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|0,0,2]=4 4665 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|0,0,2]=4 4666 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|0,0,2]=4 4667 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|0,0,2]=4 4668 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|0,0,2]=4 4669 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|0,0,2]=4 4670 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|0,0,2]=4 4671 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|0,0,2]=4 4672 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|0,0,2]=4 4673 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,2,0,0,0,0|0,0,2]=4 4674 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|0,0,2]=4 4675 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|0,0,2]=4 4676 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|0,0,2]=4 4677 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|0,0,2]=4 4678 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,2,0,0,0,0|0,0,2]=4 4679 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,2,0,0,0,0|0,0,2]=4 4680 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|0,0,2]=4 4681 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|0,0,2]=4 4682 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,2,0,0,0,0|0,0,2]=4 4683 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|0,0,2]=4 4684 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [0,2,0,0,0,0|0,0,2]=4 4685 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|0,0,2]=4 4686 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|0,0,2]=4 4687 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [0,2,0,0,0,0|0,0,2]=4 4688 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [0,2,0,0,0,0|0,0,2]=4 4689 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [0,2,0,0,0,0|0,0,2]=4 4690 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [0,2,0,0,0,0|0,0,2]=4 4691 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [0,2,0,0,0,0|0,0,2]=4 4692 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|0,0,2]=4 4693 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|0,0,2]=4 4694 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [0,2,0,0,0,0|0,0,2]=4 4695 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [0,2,0,0,0,0|0,0,2]=4 4696 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|0,0,2]=4 4697 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [0,2,0,0,0,0|0,0,2]=4 4698 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [0,2,0,0,0,0|0,0,2]=4 4699 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|0,0,2]=4 4700 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|0,0,2]=4 4701 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|0,0,2]=4 4702 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [0,2,0,0,0,0|0,0,2]=4 4703 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [0,2,0,0,0,0|0,0,2]=4 4704 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [0,2,0,0,0,0|0,0,2]=4 4705 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [0,2,0,0,0,0|0,0,2]=4 4706 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|0,0,2]=4 4707 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|0,0,2]=4 4708 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [0,2,0,0,0,0|0,0,2]=4 4709 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [0,2,0,0,0,0|0,0,2]=4 4710 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|0,0,2]=4 4711 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|0,0,2]=4 4712 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [0,2,0,0,0,0|0,0,2]=4 4713 B15R0.366 CCCCNN=CCCCCC(=O)OCC 4a_100025702795_100012182868 [0,2,0,0,0,0|1,0,1]=4 4714 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|0,0,2]=4 4715 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|0,0,2]=4 4716 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [0,2,0,0,0,0|0,0,2]=4 4717 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [0,2,0,0,0,0|0,0,2]=4 4718 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [0,2,0,0,0,0|0,0,2]=4 4719 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [0,2,0,0,0,0|0,0,2]=4 4720 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [0,2,0,0,0,0|0,0,2]=4 4721 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [0,2,0,0,0,0|0,0,2]=4 4722 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [0,2,0,0,0,0|0,0,2]=4 4723 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [0,2,0,0,0,0|0,0,2]=4 4724 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [0,2,0,0,0,0|0,0,2]=4 4725 B15R0.366 CCCCOCCOCCNC(=O)OCC 34a_100000158857_100000743108 [0,2,0,0,0,0|1,0,1]=4 4726 B15R0.366 CCCCOCCOCCNC(=O)OCC 7a_100000210238_200011445536 [0,2,0,0,0,0|1,0,1]=4 4727 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [0,2,0,0,0,0|0,0,2]=4 4728 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [0,2,0,0,0,0|0,0,2]=4 4729 B15R0.366 CCCCOCCSCCNC(=O)OCC 62a_100000743108_200011445536 [0,2,0,0,0,0|1,0,1]=4 4730 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [0,2,0,0,0,0|0,0,2]=4 4731 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [0,2,0,0,0,0|0,0,2]=4 4732 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100000088970_100011995733 [0,2,0,0,0,0|1,0,1]=4 4733 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100011995733_100000088970 [0,2,0,0,0,0|1,0,1]=4 4734 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|0,0,2]=4 4735 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [0,2,0,0,0,0|0,0,2]=4 4736 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [0,2,0,0,0,0|0,0,2]=4 4737 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [0,2,0,0,0,0|0,0,2]=4 4738 B15R0.366 CCCCSCCOCCNC(=O)OCC 7a_200000230436_200011445536 [0,2,0,0,0,0|1,0,1]=4 4739 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|0,0,2]=4 4740 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [0,2,0,0,0,0|0,0,2]=4 4741 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [0,2,0,0,0,0|0,0,2]=4 4742 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [0,2,0,0,0,0|0,0,2]=4 4743 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [0,2,0,0,0,0|0,0,2]=4 4744 B15R0.366 CCCOCCNCCOCC(=O)OCC 2230a_100161115042_100000088970 [0,2,0,0,0,0|1,0,1]=4 4745 B15R0.366 CCCOCCNCCOCC(=O)OCC 34a_100161115042_100000088970 [0,2,0,0,0,0|1,0,1]=4 4746 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [0,2,0,0,0,0|0,0,2]=4 4747 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [0,2,0,0,0,0|0,0,2]=4 4748 B15R0.366 CCCOCCOCCNCC(=O)OCC 2230a_200011904461_100000188475 [0,2,0,0,0,0|1,0,1]=4 4749 B15R0.366 CCCOCCOCCNCC(=O)OCC 34a_200011904461_100000188475 [0,2,0,0,0,0|1,0,1]=4 4750 B15R0.366 CCCOCCOCCOCC(=O)OCC 34a_100000752267_100000088970 [0,2,0,0,0,0|1,0,1]=4 4751 B15R0.366 CCCOCCOCCOCC(=O)OCC 7a_100000752267_100000088970 [0,2,0,0,0,0|1,0,1]=4 4752 B15R0.366 CCCOCCOCCSCC(=O)OCC 7a_200000230590_100011215938 [0,2,0,0,0,0|1,0,1]=4 4753 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [0,2,0,0,0,0|0,0,2]=4 4754 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [0,2,0,0,0,0|0,0,2]=4 4755 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100000088970_100011215938 [0,2,0,0,0,0|1,0,1]=4 4756 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100011215938_100000088970 [0,2,0,0,0,0|1,0,1]=4 4757 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|0,0,2]=4 4758 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [0,2,0,0,0,0|0,0,2]=4 4759 B15R0.366 CCCSCCNCCOCC(=O)OCC 2230a_100020603323_100000088970 [0,2,0,0,0,0|1,0,1]=4 4760 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [0,2,0,0,0,0|0,0,2]=4 4761 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [0,2,0,0,0,0|0,0,2]=4 4762 B15R0.366 CCCSCCOCCOCC(=O)OCC 34a_200000230433_100000088970 [0,2,0,0,0,0|1,0,1]=4 4763 B15R0.366 CCCSCCOCCOCC(=O)OCC 7a_200000230433_100000088970 [0,2,0,0,0,0|1,0,1]=4 4764 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|0,0,2]=4 4765 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|0,0,2]=4 4766 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|0,0,2]=4 4767 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|0,0,2]=4 4768 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|0,0,2]=4 4769 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|0,0,2]=4 4770 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|0,0,2]=4 4771 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|0,0,2]=4 4772 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,2,0,0,0,0|0,0,2]=4 4773 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,2,0,0,0,0|0,0,2]=4 4774 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,2,0,0,0,0|0,0,2]=4 4775 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,2,0,0,0,0|0,0,2]=4 4776 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,2,0,0,0,0|0,0,2]=4 4777 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,2,0,0,0,0|0,0,2]=4 4778 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,2,0,0,0,0|0,0,2]=4 4779 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,2,0,0,0,0|0,0,2]=4 4780 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,2,0,0,0,0|0,0,2]=4 4781 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,2,0,0,0,0|0,0,2]=4 4782 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,2,0,0,0,0|0,0,2]=4 4783 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,2,0,0,0,0|0,0,2]=4 4784 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,2,0,0,0,0|0,0,2]=4 4785 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,2,0,0,0,0|0,0,2]=4 4786 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,2,0,0,0,0|0,0,2]=4 4787 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,2,0,0,0,0|0,0,2]=4 4788 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,2,0,0,0,0|0,0,2]=4 4789 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,2,0,0,0,0|0,0,2]=4 4790 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,2,0,0,0,0|0,0,2]=4 4791 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,2,0,0,0,0|0,0,2]=4 4792 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,2,0,0,0,0|0,0,2]=4 4793 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,2,0,0,0,0|0,0,2]=4 4794 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,2,0,0,0,0|0,0,2]=4 4795 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,2,0,0,0,0|0,0,2]=4 4796 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,2,0,0,0,0|0,0,2]=4 4797 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,2,0,0,0,0|0,0,2]=4 4798 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,2,0,0,0,0|0,0,2]=4 4799 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,2,0,0,0,0|0,0,2]=4 4800 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,2,0,0,0,0|0,0,2]=4 4801 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [0,2,0,0,0,0|0,0,2]=4 4802 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,2,0,0,0,0|0,0,2]=4 4803 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,2,0,0,0,0|0,0,2]=4 4804 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,2,0,0,0,0|0,0,2]=4 4805 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,2,0,0,0,0|0,0,2]=4 4806 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,2,0,0,0,0|0,0,2]=4 4807 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,2,0,0,0,0|0,0,2]=4 4808 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,2,0,0,0,0|0,0,2]=4 4809 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,2,0,0,0,0|0,0,2]=4 4810 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,2,0,0,0,0|0,0,2]=4 4811 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,2,0,0,0,0|0,0,2]=4 4812 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,2,0,0,0,0|0,0,2]=4 4813 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,2,0,0,0,0|0,0,2]=4 4814 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,2,0,0,0,0|0,0,2]=4 4815 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,2,0,0,0,0|0,0,2]=4 4816 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [0,2,0,0,0,0|0,0,2]=4 4817 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [0,2,0,0,0,0|0,0,2]=4 4818 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [0,2,0,0,0,0|0,0,2]=4 4819 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,2,0,0,0,0|0,0,2]=4 4820 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,2,0,0,0,0|0,0,2]=4 4821 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,2,0,0,0,0|0,0,2]=4 4822 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,2,0,0,0,0|0,0,2]=4 4823 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,2,0,0,0,0|0,0,2]=4 4824 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,2,0,0,0,0|0,0,2]=4 4825 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [0,2,0,0,0,0|0,0,2]=4 4826 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [0,2,0,0,0,0|0,0,2]=4 4827 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,2,0,0,0,0|0,0,2]=4 4828 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,2,0,0,0,0|0,0,2]=4 4829 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,2,0,0,0,0|0,0,2]=4 4830 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,2,0,0,0,0|0,0,2]=4 4831 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,2,0,0,0,0|0,0,2]=4 4832 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,2,0,0,0,0|0,0,2]=4 4833 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,2,0,0,0,0|0,0,2]=4 4834 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,2,0,0,0,0|0,0,2]=4 4835 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,2,0,0,0,0|0,0,2]=4 4836 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,2,0,0,0,0|0,0,2]=4 4837 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,2,0,0,0,0|0,0,2]=4 4838 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,2,0,0,0,0|0,0,2]=4 4839 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [0,2,0,0,0,0|0,0,2]=4 4840 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [0,2,0,0,0,0|0,0,2]=4 4841 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,2,0,0,0,0|0,0,2]=4 4842 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,2,0,0,0,0|0,0,2]=4 4843 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,2,0,0,0,0|0,0,2]=4 4844 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,2,0,0,0,0|0,0,2]=4 4845 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,2,0,0,0,0|0,0,2]=4 4846 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,2,0,0,0,0|0,0,2]=4 4847 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,2,0,0,0,0|0,0,2]=4 4848 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,2,0,0,0,0|0,0,2]=4 4849 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,2,0,0,0,0|0,0,2]=4 4850 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,2,0,0,0,0|0,0,2]=4 4851 B15R0.366 CCOC(=O)CCCNCCOCCOC 2230a_100000745349_100009991533 [0,2,0,0,0,0|1,0,1]=4 4852 B15R0.366 CCOC(=O)CCCNCCOCCOC 34a_100000745349_100009991533 [0,2,0,0,0,0|1,0,1]=4 4853 B15R0.366 CCOC(=O)CCCOCCCCCC#N 7a_100012001163_100009813376 [0,2,0,0,0,0|1,0,1]=4 4854 B15R0.366 CCOC(=O)CCCOCCCCCC=O 7a_100012001163_100000139337 [0,2,0,0,0,0|1,0,1]=4 4855 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,2,0,0,0,0|0,0,2]=4 4856 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,2,0,0,0,0|0,0,2]=4 4857 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,2,0,0,0,0|0,0,2]=4 4858 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,2,0,0,0,0|0,0,2]=4 4859 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,2,0,0,0,0|0,0,2]=4 4860 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,2,0,0,0,0|0,0,2]=4 4861 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,2,0,0,0,0|0,0,2]=4 4862 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,2,0,0,0,0|0,0,2]=4 4863 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,2,0,0,0,0|0,0,2]=4 4864 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,2,0,0,0,0|0,0,2]=4 4865 B15R0.366 CCOC(=O)CCCOCCOCCNC 34a_100000228057_100009991533 [0,2,0,0,0,0|1,0,1]=4 4866 B15R0.366 CCOC(=O)CCCOCCOCCOC 34a_100011215163_100009991533 [0,2,0,0,0,0|1,0,1]=4 4867 B15R0.366 CCOC(=O)CCCOCCOCCOC 7a_100011215163_100011215271 [0,2,0,0,0,0|1,0,1]=4 4868 B15R0.366 CCOC(=O)CCCOCCOCCOC 7a_100012001163_100000695917 [0,2,0,0,0,0|1,0,1]=4 4869 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009813376_100009991533 [0,2,0,0,0,0|1,0,1]=4 4870 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009991533_100009813376 [0,2,0,0,0,0|1,0,1]=4 4871 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100000139337_100009991533 [0,2,0,0,0,0|1,0,1]=4 4872 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100009991533_100000139337 [0,2,0,0,0,0|1,0,1]=4 4873 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,2,0,0,0,0|0,0,2]=4 4874 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,2,0,0,0,0|0,0,2]=4 4875 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,2,0,0,0,0|0,0,2]=4 4876 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,2,0,0,0,0|0,0,2]=4 4877 B15R0.366 CCOC(=O)CCCSCCOCCOC 62a_100000695917_100009991533 [0,2,0,0,0,0|1,0,1]=4 4878 B15R0.366 CCOC(=O)CCCSCCOCCOC 62a_100009991533_100000695917 [0,2,0,0,0,0|1,0,1]=4 4879 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,2,0,0,0,0|0,0,2]=4 4880 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,2,0,0,0,0|0,0,2]=4 4881 B15R0.366 CCOC(=O)CCNCCCOCCCO 2230a_100011310245_100011206558 [0,2,0,0,0,0|1,0,1]=4 4882 B15R0.366 CCOC(=O)CCNCCCOCCCO 34a_100011310245_100000765890 [0,2,0,0,0,0|1,0,1]=4 4883 B15R0.366 CCOC(=O)CCNCCCOCCOC 2230a_100000206027_100011206558 [0,2,0,0,0,0|1,0,1]=4 4884 B15R0.366 CCOC(=O)CCNCCCOCCOC 34a_100000206027_100000765890 [0,2,0,0,0,0|1,0,1]=4 4885 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,2,0,0,0,0|0,0,2]=4 4886 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,2,0,0,0,0|0,0,2]=4 4887 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,2,0,0,0,0|0,0,2]=4 4888 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,2,0,0,0,0|0,0,2]=4 4889 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,2,0,0,0,0|0,0,2]=4 4890 B15R0.366 CCOC(=O)CCOCCCOCCCN 34a_100011310245_100000765890 [0,2,0,0,0,0|1,0,1]=4 4891 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100000765890_100009813337 [0,2,0,0,0,0|1,0,1]=4 4892 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100009813337_100000765890 [0,2,0,0,0,0|1,0,1]=4 4893 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,2,0,0,0,0|0,0,2]=4 4894 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,2,0,0,0,0|0,0,2]=4 4895 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,2,0,0,0,0|0,0,2]=4 4896 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,2,0,0,0,0|0,0,2]=4 4897 B15R0.366 CCOC(=O)CCSCCCOCCOC 62a_100000765890_100011216529 [0,2,0,0,0,0|1,0,1]=4 4898 B15R0.366 CCOC(=O)CCSCCCOCCOC 62a_100011216529_100000765890 [0,2,0,0,0,0|1,0,1]=4 4899 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,2,0,0,0,0|0,0,2]=4 4900 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,2,0,0,0,0|0,0,2]=4 4901 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,2,0,0,0,0|0,0,2]=4 4902 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,2,0,0,0,0|0,0,2]=4 4903 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,2,0,0,0,0|0,0,2]=4 4904 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,2,0,0,0,0|0,0,2]=4 4905 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,2,0,0,0,0|0,0,2]=4 4906 B15R0.366 CCOC(=O)COCCNCCCCCO 2230a_100000762737_100000088970 [0,2,0,0,0,0|1,0,1]=4 4907 B15R0.366 CCOC(=O)COCCNCCCCCO 34a_100000762737_100000088970 [0,2,0,0,0,0|1,0,1]=4 4908 B15R0.366 CCOC(=O)COCCOCCCCCBr 34a_100000746331_100000088970 [0,2,0,0,0,0|1,0,1]=4 4909 B15R0.366 CCOC(=O)COCCOCCCCCBr 7a_100000746331_100000088970 [0,2,0,0,0,0|1,0,1]=4 4910 B15R0.366 CCOC(=O)COCCOCCCCCCl 34a_100000746330_100000088970 [0,2,0,0,0,0|1,0,1]=4 4911 B15R0.366 CCOC(=O)COCCOCCCCCCl 7a_100000746330_100000088970 [0,2,0,0,0,0|1,0,1]=4 4912 B15R0.366 CCOC(=O)COCCOCCCCCI 34a_200012148887_100000088970 [0,2,0,0,0,0|1,0,1]=4 4913 B15R0.366 CCOC(=O)COCCOCCCCCI 7a_200012148887_100000088970 [0,2,0,0,0,0|1,0,1]=4 4914 B15R0.366 CCOC(=O)COCCOCCCCCN 34a_100000762737_100000088970 [0,2,0,0,0,0|1,0,1]=4 4915 B15R0.366 CCOC(=O)COCCOCCCCOC 34a_100000740925_100000088970 [0,2,0,0,0,0|1,0,1]=4 4916 B15R0.366 CCOC(=O)COCCOCCCCSC 34a_100011217163_100000088970 [0,2,0,0,0,0|1,0,1]=4 4917 B15R0.366 CCOC(=O)COCCOCCCCSC 7a_100011217163_100000088970 [0,2,0,0,0,0|1,0,1]=4 4918 B15R0.366 CCOC(=O)COCCOCCCSCC 34a_100011216438_100000088970 [0,2,0,0,0,0|1,0,1]=4 4919 B15R0.366 CCOC(=O)COCCOCCCSCC 7a_100011216438_100000088970 [0,2,0,0,0,0|1,0,1]=4 4920 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000088970_100000729378 [0,2,0,0,0,0|1,0,1]=4 4921 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000729378_100000088970 [0,2,0,0,0,0|1,0,1]=4 4922 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000088970_100000746330 [0,2,0,0,0,0|1,0,1]=4 4923 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000746330_100000088970 [0,2,0,0,0,0|1,0,1]=4 4924 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000088970_100000730899 [0,2,0,0,0,0|1,0,1]=4 4925 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000730899_100000088970 [0,2,0,0,0,0|1,0,1]=4 4926 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,2,0,0,0,0|0,0,2]=4 4927 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,2,0,0,0,0|0,0,2]=4 4928 B15R0.366 CCOC(=O)CSCCOCCCCCF 7a_200000230590_100000729378 [0,2,0,0,0,0|1,0,1]=4 4929 B15R0.366 CCOC(=O)CSCCOCCCCCO 7a_200000230590_100000746330 [0,2,0,0,0,0|1,0,1]=4 4930 B15R0.366 CCOC(=O)CSCCOCCCCOC 7a_200000230590_100000730899 [0,2,0,0,0,0|1,0,1]=4 4931 B15R0.366 CCOC(=O)NCCOCCCCCCBr 7a_100011215345_200011445536 [0,2,0,0,0,0|1,0,1]=4 4932 B15R0.366 CCOC(=O)NCCOCCCCCCCl 7a_100000766143_200011445536 [0,2,0,0,0,0|1,0,1]=4 4933 B15R0.366 CCOC(=O)NCCOCCCCCCF 34a_100000158857_100015922095 [0,2,0,0,0,0|1,0,1]=4 4934 B15R0.366 CCOC(=O)NCCOCCCCCCF 7a_100000732779_200011445536 [0,2,0,0,0,0|1,0,1]=4 4935 B15R0.366 CCOC(=O)NCCOCCCCCCO 34a_100000158857_100000766143 [0,2,0,0,0,0|1,0,1]=4 4936 B15R0.366 CCOC(=O)NCCSCCCCCCF 62a_100015922095_200011445536 [0,2,0,0,0,0|1,0,1]=4 4937 B15R0.366 CCOC(=O)NCCSCCCCCCO 62a_100000766143_200011445536 [0,2,0,0,0,0|1,0,1]=4 4938 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|0,0,2]=4 4939 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [0,2,0,0,0,0|0,0,2]=4 4940 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [0,2,0,0,0,0|0,0,2]=4 4941 B15R0.366 CCOCCCNCCOCC(=O)OCC 2230a_100000210961_100000088970 [0,2,0,0,0,0|1,0,1]=4 4942 B15R0.366 CCOCCCNCCOCC(=O)OCC 34a_100000210961_100000088970 [0,2,0,0,0,0|1,0,1]=4 4943 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [0,2,0,0,0,0|0,0,2]=4 4944 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [0,2,0,0,0,0|0,0,2]=4 4945 B15R0.366 CCOCCCOCCOCC(=O)OCC 34a_100000757476_100000088970 [0,2,0,0,0,0|1,0,1]=4 4946 B15R0.366 CCOCCCOCCOCC(=O)OCC 7a_100000757476_100000088970 [0,2,0,0,0,0|1,0,1]=4 4947 B15R0.366 CCOCCCOCCSCC(=O)OCC 7a_200000230590_100012232248 [0,2,0,0,0,0|1,0,1]=4 4948 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [0,2,0,0,0,0|0,0,2]=4 4949 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [0,2,0,0,0,0|0,0,2]=4 4950 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100000088970_100012232248 [0,2,0,0,0,0|1,0,1]=4 4951 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100012232248_100000088970 [0,2,0,0,0,0|1,0,1]=4 4952 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [0,2,0,0,0,0|0,0,2]=4 4953 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [0,2,0,0,0,0|0,0,2]=4 4954 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [0,2,0,0,0,0|0,0,2]=4 4955 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [0,2,0,0,0,0|0,0,2]=4 4956 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [0,2,0,0,0,0|0,0,2]=4 4957 B15R0.366 CCOCCOCCNCCC(=O)OCC 2230a_100102712874_100011206558 [0,2,0,0,0,0|1,0,1]=4 4958 B15R0.366 CCOCCOCCNCCC(=O)OCC 34a_100102712874_100000765890 [0,2,0,0,0,0|1,0,1]=4 4959 B15R0.366 CCOCCOCCOCCC(=O)OCC 34a_100000210240_100000765890 [0,2,0,0,0,0|1,0,1]=4 4960 B15R0.366 CCOCCOCCOCCC(=O)OCC 34a_100010737887_100000210202 [0,2,0,0,0,0|1,0,1]=4 4961 B15R0.366 CCOCCOCCOCCC(=O)OCC 7a_100000210240_100011206558 [0,2,0,0,0,0|1,0,1]=4 4962 B15R0.366 CCOCCOCCOCCC(=O)OCC 7a_100010737887_100000210202 [0,2,0,0,0,0|1,0,1]=4 4963 B15R0.366 CCOCCOCCSCCC(=O)OCC 62a_100000765890_100011211534 [0,2,0,0,0,0|1,0,1]=4 4964 B15R0.366 CCOCCOCCSCCC(=O)OCC 62a_100011211534_100000765890 [0,2,0,0,0,0|1,0,1]=4 4965 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [0,2,0,0,0,0|0,0,2]=4 4966 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [0,2,0,0,0,0|0,0,2]=4 4967 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [0,2,0,0,0,0|0,0,2]=4 4968 B15R0.384 CCOC(=O)CCCCCCCC(=O)CC 1458a_100000210414_100009991516 [0,2,0,0,0,0|0,0,2]=4 4969 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 2230a_100000225621_100009991516 [0,2,0,0,0,0|0,0,2]=4 4970 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 269982a_100000225621_100009991516 [0,2,0,0,0,0|0,0,2]=4 4971 B15R0.384 CCOC(=O)CCCCCCNC(C)CC 2230a_100000209981_100009814379 [0,2,0,0,0,0|0,0,2]=4 4972 B15R0.384 CCOC(=O)CCCCCCOC(C)CC 7a_100000210228_100009814379 [0,2,0,0,0,0|0,0,2]=4 4973 B15R0.384 CCOC(=O)CCCCCCSC(C)CC 62a_100000758301_100009814379 [0,2,0,0,0,0|0,0,2]=4 4974 B15R0.384 CCOC(=O)CCCCCNCC(C)CC 2230a_100020588543_100000755133 [0,2,0,0,0,0|0,0,2]=4 4975 B15R0.384 CCOC(=O)CCCCCNCC(O)CC 2230a_100011218483_100000755133 [0,2,0,0,0,0|0,0,2]=4 4976 B15R0.384 CCOC(=O)CCCCCOCC(C)CC 7a_100011214988_100000748023 [0,2,0,0,0,0|0,0,2]=4 4977 B15R0.384 CCOC(=O)CCCCCOCC(O)CC 7a_100011214988_100011218378 [0,2,0,0,0,0|0,0,2]=4 4978 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100009816381_100000755133 [0,2,0,0,0,0|0,0,2]=4 4979 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100011214988_100009816398 [0,2,0,0,0,0|0,0,2]=4 4980 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000748023_100000755133 [0,2,0,0,0,0|0,0,2]=4 4981 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000755133_100000748023 [0,2,0,0,0,0|0,0,2]=4 4982 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100000755133_100011218378 [0,2,0,0,0,0|0,0,2]=4 4983 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100011218378_100000755133 [0,2,0,0,0,0|0,0,2]=4 4984 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100000755133_100009816398 [0,2,0,0,0,0|0,0,2]=4 4985 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100009816398_100000755133 [0,2,0,0,0,0|0,0,2]=4 4986 B15R0.384 CCOC(=O)CCCCNCCC(C)CC 2230a_100020591266_100000750268 [0,2,0,0,0,0|0,0,2]=4 4987 B15R0.384 CCOC(=O)CCCCOCCC(C)CC 7a_100011215188_100000750268 [0,2,0,0,0,0|0,0,2]=4 4988 B15R0.384 CCOC(=O)CCCOCCCC(C)CC 7a_100011216074_100011215271 [0,2,0,0,0,0|0,0,2]=4 4989 B15R0.384 CCOC(=O)CCCOCCCN(C)CC 7a_100012001163_100015186262 [0,2,0,0,0,0|1,0,1]=4 4990 B15R0.384 CCOC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100009991533 [0,2,0,0,0,0|1,0,1]=4 4991 B15R0.384 CCOC(=O)CCCSCCCN(C)CC 62a_100009991533_100015186262 [0,2,0,0,0,0|1,0,1]=4 4992 B15R0.384 CCOC(=O)COCCCCCC(C)CC 7a_200000035636_100000188475 [0,2,0,0,0,0|0,0,2]=4 4993 B15R0.384 CCOC(=O)COCCNCCC(C)CC 2230a_100020591266_100000088970 [0,2,0,0,0,0|1,0,1]=4 4994 B15R0.384 CCOC(=O)COCCOCCC(C)CC 7a_100011215188_100000088970 [0,2,0,0,0,0|1,0,1]=4 4995 B15R0.384 CCOC(=O)NCCOCCCC(C)CC 7a_100011216074_200011445536 [0,2,0,0,0,0|1,0,1]=4 4996 B15R0.2002 C=C(COC/C=C/CCCCC)OCOC 34a_100016258190_100000042856 [0,2,0,0,0,0|1,0,0]=3 4997 B15R0.2002 C=CCCC/C=C/COCC(=O)OCCC 34a_200016268473_200011215008 [0,2,0,0,0,0|0,0,2]=4 4998 B15R0.2002 C=CCCC/C=C/COCC(=O)OCCC 7a_200016268473_200011215008 [0,2,0,0,0,0|0,0,2]=4 4999 B15R0.2002 C=CCNC(=O)COC/C=C/CCCCC 7a_100016258190_100000183597 [0,2,0,0,0,0|1,0,1]=4 5000 B15R0.2002 C=CCOC(=O)COC/C=C/CCCCC 34a_100016258190_100000033060 [0,2,0,0,0,0|0,0,1]=3 5001 B15R0.2002 C=CCOC(=O)COC/C=C/CCCCC 7a_100016258190_100000033060 [0,2,0,0,0,0|0,0,1]=3 5002 B15R0.2002 CCC/C=C/C=C/COCC(=O)OCCC 34a_100016294078_200011215008 [0,2,0,0,0,0|0,0,2]=4 5003 B15R0.2002 CCCC/C=C\CCOCC(=O)OCCC 34a_200016286491_200011215008 [0,2,0,0,0,0|0,0,2]=4 5004 B15R0.2002 CCCC/C=C\CCOCC(=O)OCCC 7a_200016286491_200011215008 [0,2,0,0,0,0|0,0,2]=4 5005 B15R0.2002 CCCCC/C=C/COCC(=O)NCC#N 7a_100016258190_100000736037 [0,2,0,0,0,0|1,0,1]=4 5006 B15R0.2002 CCCCC/C=C/COCC(=O)NCCC 34a_100016258190_100000183358 [0,2,0,0,0,0|1,0,0]=3 5007 B15R0.2002 CCCCC/C=C/COCC(=O)NCCC 7a_100016258190_100000183358 [0,2,0,0,0,0|1,0,0]=3 5008 B15R0.2002 CCCCC/C=C/COCC(=O)OCCC 34a_100016258190_200011215008 [0,2,0,0,0,0|0,0,0]=2 5009 B15R0.2002 CCCCC/C=C/COCC(=O)OCCC 7a_100016258190_200011215008 [0,2,0,0,0,0|0,0,0]=2 5010 B15R0.2002 CCCCCC#CCOCC(=O)OCCC 34a_200000033628_200011215008 [0,2,0,0,0,0|0,0,2]=4 5011 B15R0.2002 CCCCCC#CCOCC(=O)OCCC 7a_200000033628_200011215008 [0,2,0,0,0,0|0,0,2]=4 5012 B15R0.2002 CCCCCC#CCSCC(=O)OCCC 62a_100009816472_200011215008 [0,2,0,0,0,0|0,0,2]=4 5013 B15R0.2002 CCCCCC#CCSCC(=O)OCCC 62a_200011215008_100009816472 [0,2,0,0,0,0|0,0,2]=4 5014 B15R0.2002 CCCCCC=CC=NNC(=O)COCC 4a_100000216846_100016268540 [0,2,0,0,0,0|1,0,1]=4 5015 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [0,2,0,0,0,0|0,0,2]=4 5016 B15R0.2002 CCCCCCCCCNC(=O)COCC 11a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5017 B15R0.2002 CCCCCCCCCNC(=O)COCC 1626a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5018 B15R0.2002 CCCCCCCCCNC(=O)COCC 240690a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5019 B15R0.2002 CCCCCCCCCNC(=O)COCC 527a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5020 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [0,2,0,0,0,0|0,0,2]=4 5021 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [0,2,0,0,0,0|0,0,2]=4 5022 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [0,2,0,0,0,0|0,0,2]=4 5023 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [0,2,0,0,0,0|0,0,2]=4 5024 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [0,2,0,0,0,0|0,0,2]=4 5025 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [0,2,0,0,0,0|0,0,2]=4 5026 B15R0.2002 CCCCCNCCOCC(=O)OCCC 34a_100000224656_200011215008 [0,2,0,0,0,0|1,0,1]=4 5027 B15R0.2002 CCCCCOCCOCC(=O)OCCC 34a_100011215259_200011215008 [0,2,0,0,0,0|1,0,1]=4 5028 B15R0.2002 CCCCCOCCOCC(=O)OCCC 7a_100011215259_200011215008 [0,2,0,0,0,0|1,0,1]=4 5029 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [0,2,0,0,0,0|0,0,2]=4 5030 B15R0.110 CCNC(=O)CCCC(=O)CCCC(C)C 1458a_100000199580_100011214892 [0,2,0,0,0,0|1,0,1]=4 5031 B15R0.110 CCNC(=O)CCCC(=O)CCCC(C)O 1458a_100000199580_200000718107 [0,2,0,0,0,0|1,0,1]=4 5032 B15R0.110 CCNC(=O)CCNC(=O)CCCC(C)C 11a_100025743525_100011216857 [0,2,0,0,0,0|2,0,0]=4 5033 B15R0.110 CCNC(=O)CCNC(=O)CCCC(C)C 1626a_100025743525_100011216857 [0,2,0,0,0,0|2,0,0]=4 5034 B15R0.110 CCNC(=O)CCNC(=O)CCCC(C)C 240690a_100025743525_100011216857 [0,2,0,0,0,0|2,0,0]=4 5035 B15R0.110 CCNC(=O)CCNC(=O)CCCC(C)C 527a_100025743525_100011216857 [0,2,0,0,0,0|2,0,0]=4 5036 B15R0.110 CCNC(=O)CCNC(=O)CCCC(C)O 1626a_100025743525_100000761597 [0,2,0,0,0,0|2,0,0]=4 5037 B15R0.110 CCNC(=O)CCNC(=O)CCCC(C)O 527a_100025743525_100000761597 [0,2,0,0,0,0|2,0,0]=4 5038 B15R0.110 CCOC(=O)CCCC(=O)CCCC(=O)C 1458a_100000210991_100011215641 [0,2,0,0,0,0|0,0,2]=4 5039 B15R0.110 CCOC(=O)CCCC(=O)CCCC(C)C 1458a_100000210991_100011214892 [0,2,0,0,0,0|0,0,1]=3 5040 B15R0.110 CCOC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215271 [0,2,0,0,0,0|0,0,1]=3 5041 B15R0.110 CCOC(=O)CCCC(=O)CCCC(C)O 1458a_100000210991_200000718107 [0,2,0,0,0,0|0,0,1]=3 5042 B15R0.110 CCOC(=O)CCCC(=O)CCCN(C)C 1458a_100000210991_100000695564 [0,2,0,0,0,0|1,0,1]=4 5043 B15R0.110 CCOC(=O)CCCC(=O)CCOC(C)C 1458a_100000210991_100000211751 [0,2,0,0,0,0|1,0,1]=4 5044 B15R0.110 CCOC(=O)CCCC(=O)CCSC(C)C 1458a_100000210991_100000730970 [0,2,0,0,0,0|1,0,1]=4 5045 B15R0.110 CCOC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011215271 [0,2,0,0,0,0|1,0,1]=4 5046 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 11a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 5047 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 1626a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 5048 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 240690a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 5049 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 527a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 5050 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)O 240690a_200000755665_100000210991 [0,2,0,0,0,0|1,0,1]=4 5051 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)O 527a_200000755665_100000210991 [0,2,0,0,0,0|1,0,1]=4 5052 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)C 188690a_100000746078_100011216857 [0,2,0,0,0,0|1,0,0]=3 5053 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)O 188690a_100000746078_100000761597 [0,2,0,0,0,0|1,0,0]=3 5054 B15R0.110 CCOC(=O)CCNC(=O)CCCN(C)C 188690a_100000746078_100000740757 [0,2,0,0,0,0|2,0,0]=4 5055 B15R0.110 CCOC(=O)CCNC(=O)COCC(C)C 188690a_100000746078_100011223364 [0,2,0,0,0,0|2,0,0]=4 5056 B15R0.110 CCOC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100011206558 [0,2,0,0,0,0|1,0,1]=4 5057 B15R0.110 CCOC(=O)CCOC(C)CCCC(C)C 34a_200011218570_100000765890 [0,2,0,0,0,0|1,0,1]=4 5058 B15R0.110 CCOC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100011206558 [0,2,0,0,0,0|1,0,1]=4 5059 B15R0.110 CCOC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_200011445536 [0,2,0,0,0,0|1,0,1]=4 5060 B15R0.1737 CCOC(=O)CCCOCCCC(C)(C)O 7a_100012001163_100009888830 [0,2,0,0,0,0|1,0,1]=4 5061 B15R0.1737 CCOC(=O)CCCSCCCC(C)(C)O 62a_100009888830_100009991533 [0,2,0,0,0,0|1,0,1]=4 5062 B15R0.1737 CCOC(=O)CCCSCCCC(C)(C)O 62a_100009991533_100009888830 [0,2,0,0,0,0|1,0,1]=4 5063 B15R0.88 C=C(C)CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000730704 [0,2,0,0,0,0|1,0,0]=3 5064 B15R0.88 C=C(C)CNC(=O)CC/C=C/CCCCC 11a_100000765925_200015255902 [0,2,0,0,0,0|1,0,0]=3 5065 B15R0.88 C=C(C)CNC(=O)CC/C=C/CCCCC 1626a_100000765925_200015255902 [0,2,0,0,0,0|1,0,0]=3 5066 B15R0.88 C=C(C)CNC(=O)CC/C=C/CCCCC 240690a_100000765925_200015255902 [0,2,0,0,0,0|1,0,0]=3 5067 B15R0.88 C=C(C)CNC(=O)CC/C=C/CCCCC 527a_100000765925_200015255902 [0,2,0,0,0,0|1,0,0]=3 5068 B15R0.88 CCCCC/C=C/CCC(=O)CC=C(C)C 1458a_200015255902_100000761012 [0,2,0,0,0,0|1,0,1]=4 5069 B15R0.88 CCCCC/C=C/CCC(=O)CCC(C)C 1458a_200015255902_100000210312 [0,2,0,0,0,0|1,0,0]=3 5070 B15R0.88 CCCCC/C=C/CCC(=O)CCC(C)O 1458a_200015255902_100012276601 [0,2,0,0,0,0|1,0,0]=3 5071 B15R0.88 CCCCC/C=C/CCC(=O)NCC(=O)N 11a_100000711301_200015255902 [0,2,0,0,0,0|1,0,1]=4 5072 B15R0.88 CCCCC/C=C/CCC(=O)NCC(=O)N 240690a_100000711301_200015255902 [0,2,0,0,0,0|1,0,1]=4 5073 B15R0.88 CCCCC/C=C/CCC(=O)NCC(=O)N 527a_100000711301_200015255902 [0,2,0,0,0,0|1,0,1]=4 5074 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)C 11a_100000210953_200015255902 [0,2,0,0,0,0|1,0,0]=3 5075 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)C 1626a_100000210953_200015255902 [0,2,0,0,0,0|1,0,0]=3 5076 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)C 240690a_100000210953_200015255902 [0,2,0,0,0,0|1,0,0]=3 5077 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)C 527a_100000210953_200015255902 [0,2,0,0,0,0|1,0,0]=3 5078 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)O 11a_100000210904_200015255902 [0,2,0,0,0,0|1,0,0]=3 5079 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)O 240690a_100000210904_200015255902 [0,2,0,0,0,0|1,0,0]=3 5080 B15R0.88 CCCCC/C=C/CCC(=O)NCC(C)O 527a_100000210904_200015255902 [0,2,0,0,0,0|1,0,0]=3 5081 B15R0.88 CCCCC/C=C/CCC(=O)NCC(F)F 11a_100000765723_200015255902 [0,2,0,0,0,0|1,0,0]=3 5082 B15R0.88 CCCCC/C=C/CCC(=O)NCC(F)F 1626a_100000765723_200015255902 [0,2,0,0,0,0|1,0,0]=3 5083 B15R0.88 CCCCC/C=C/CCC(=O)NCC(F)F 240690a_100000765723_200015255902 [0,2,0,0,0,0|1,0,0]=3 5084 B15R0.88 CCCCC/C=C/CCC(=O)NCC(F)F 527a_100000765723_200015255902 [0,2,0,0,0,0|1,0,0]=3 5085 B15R0.88 CCCCC/C=C/CCC(=O)NNC(=O)C 22a_100000189765_200015255902 [0,2,0,0,0,0|1,0,1]=4 5086 B15R0.88 CCCCC/C=C/CCC(=O)NNC(C)C 22a_100000741168_200015255902 [0,2,0,0,0,0|1,0,0]=3 5087 B15R0.88 CCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210670 [0,2,0,0,0,0|0,0,2]=4 5088 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|0,0,2]=4 5089 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_200010990708 [0,2,0,0,0,0|0,0,2]=4 5090 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_200010990708 [0,2,0,0,0,0|0,0,2]=4 5091 B15R0.322 C#CCCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000731252 [0,2,0,0,0,0|1,0,0]=3 5092 B15R0.322 C#CCCNC(=O)CC/C=C/CCCCC 11a_100000755551_200015255902 [0,2,0,0,0,0|1,0,0]=3 5093 B15R0.322 C#CCCNC(=O)CC/C=C/CCCCC 1626a_100000755551_200015255902 [0,2,0,0,0,0|1,0,0]=3 5094 B15R0.322 C#CCCNC(=O)CC/C=C/CCCCC 240690a_100000755551_200015255902 [0,2,0,0,0,0|1,0,0]=3 5095 B15R0.322 C#CCCNC(=O)CC/C=C/CCCCC 527a_100000755551_200015255902 [0,2,0,0,0,0|1,0,0]=3 5096 B15R0.322 C=CCCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000757094 [0,2,0,0,0,0|1,0,0]=3 5097 B15R0.322 C=CCCNC(=O)CC/C=C/CCCCC 11a_100015191253_200015255902 [0,2,0,0,0,0|1,0,0]=3 5098 B15R0.322 C=CCCNC(=O)CC/C=C/CCCCC 1626a_100015191253_200015255902 [0,2,0,0,0,0|1,0,0]=3 5099 B15R0.322 C=CCCNC(=O)CC/C=C/CCCCC 240690a_100015191253_200015255902 [0,2,0,0,0,0|1,0,0]=3 5100 B15R0.322 C=CCCNC(=O)CC/C=C/CCCCC 527a_100015191253_200015255902 [0,2,0,0,0,0|1,0,0]=3 5101 B15R0.322 C=CCNNC(=O)CC/C=C/CCCCC 22a_100020588587_200015255902 [0,2,0,0,0,0|1,0,1]=4 5102 B15R0.322 C=COCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000039644 [0,2,0,0,0,0|0,0,2]=4 5103 B15R0.322 CC#CCNC(=O)CC/C=C/CCCCC 11a_100000685387_200015255902 [0,2,0,0,0,0|1,0,0]=3 5104 B15R0.322 CC#CCNC(=O)CC/C=C/CCCCC 1626a_100000685387_200015255902 [0,2,0,0,0,0|1,0,0]=3 5105 B15R0.322 CC#CCNC(=O)CC/C=C/CCCCC 527a_100000685387_200015255902 [0,2,0,0,0,0|1,0,0]=3 5106 B15R0.322 CC/C=C\CC(=O)CC/C=C/CCCCC 1458a_200015255902_100103147603 [0,2,0,0,0,0|1,0,0]=3 5107 B15R0.322 CCC#CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100009813939 [0,2,0,0,0,0|1,0,0]=3 5108 B15R0.322 CCCCC/C=C/CCC(=O)CC#CCO 1458a_200015255902_200000047223 [0,2,0,0,0,0|1,0,1]=4 5109 B15R0.322 CCCCC/C=C/CCC(=O)CCCC#N 1458a_200015255902_100000211468 [0,2,0,0,0,0|1,0,0]=3 5110 B15R0.322 CCCCC/C=C/CCC(=O)CCCCC 1458a_200015255902_100000210326 [0,2,0,0,0,0|1,0,0]=3 5111 B15R0.322 CCCCC/C=C/CCC(=O)CCCCF 1458a_200015255902_100000729493 [0,2,0,0,0,0|1,0,0]=3 5112 B15R0.322 CCCCC/C=C/CCC(=O)CCCCO 1458a_200015255902_100000210776 [0,2,0,0,0,0|1,0,0]=3 5113 B15R0.322 CCCCC/C=C/CCC(=O)CCCOC 1458a_200015255902_100000740836 [0,2,0,0,0,0|1,0,0]=3 5114 B15R0.322 CCCCC/C=C/CCC(=O)CCOCC 1458a_200015255902_100011215890 [0,2,0,0,0,0|0,0,0]=2 5115 B15R0.322 CCCCC/C=C/CCC(=O)CCSCC 1458a_200015255902_100000757381 [0,2,0,0,0,0|0,1,0]=3 5116 B15R0.322 CCCCC/C=C/CCC(=O)NCCC#N 11a_100000720768_200015255902 [0,2,0,0,0,0|1,0,0]=3 5117 B15R0.322 CCCCC/C=C/CCC(=O)NCCC#N 1626a_100000720768_200015255902 [0,2,0,0,0,0|1,0,0]=3 5118 B15R0.322 CCCCC/C=C/CCC(=O)NCCC#N 240690a_100000720768_200015255902 [0,2,0,0,0,0|1,0,0]=3 5119 B15R0.322 CCCCC/C=C/CCC(=O)NCCC#N 527a_100000720768_200015255902 [0,2,0,0,0,0|1,0,0]=3 5120 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 11a_100000102301_200015255902 [0,2,0,0,0,0|1,0,0]=3 5121 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 1626a_100000102301_200015255902 [0,2,0,0,0,0|1,0,0]=3 5122 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 240690a_100000102301_200015255902 [0,2,0,0,0,0|1,0,0]=3 5123 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 527a_100000102301_200015255902 [0,2,0,0,0,0|1,0,0]=3 5124 B15R0.322 CCCCC/C=C/CCC(=O)NCCCF 11a_100015189416_200015255902 [0,2,0,0,0,0|1,0,0]=3 5125 B15R0.322 CCCCC/C=C/CCC(=O)NCCCF 1626a_100015189416_200015255902 [0,2,0,0,0,0|1,0,0]=3 5126 B15R0.322 CCCCC/C=C/CCC(=O)NCCCF 240690a_100015189416_200015255902 [0,2,0,0,0,0|1,0,0]=3 5127 B15R0.322 CCCCC/C=C/CCC(=O)NCCCF 527a_100015189416_200015255902 [0,2,0,0,0,0|1,0,0]=3 5128 B15R0.322 CCCCC/C=C/CCC(=O)NCCCO 240690a_100000182051_200015255902 [0,2,0,0,0,0|1,0,0]=3 5129 B15R0.322 CCCCC/C=C/CCC(=O)NCCCO 527a_100000182051_200015255902 [0,2,0,0,0,0|1,0,0]=3 5130 B15R0.322 CCCCC/C=C/CCC(=O)NCCOC 1626a_100000209980_200015255902 [0,2,0,0,0,0|1,0,0]=3 5131 B15R0.322 CCCCC/C=C/CCC(=O)NCCOC 240690a_100000209980_200015255902 [0,2,0,0,0,0|1,0,0]=3 5132 B15R0.322 CCCCC/C=C/CCC(=O)NCCOC 527a_100000209980_200015255902 [0,2,0,0,0,0|1,0,0]=3 5133 B15R0.322 CCCCC/C=C/CCC(=O)NCCSC 11a_100020590264_200015255902 [0,2,0,0,0,0|1,0,0]=3 5134 B15R0.322 CCCCC/C=C/CCC(=O)NCCSC 1626a_100020590264_200015255902 [0,2,0,0,0,0|1,0,0]=3 5135 B15R0.322 CCCCC/C=C/CCC(=O)NCCSC 240690a_100020590264_200015255902 [0,2,0,0,0,0|1,0,0]=3 5136 B15R0.322 CCCCC/C=C/CCC(=O)NCCSC 527a_100020590264_200015255902 [0,2,0,0,0,0|1,0,0]=3 5137 B15R0.322 CCCCC/C=C/CCC(=O)NNCCC 22a_100000740057_200015255902 [0,2,0,0,0,0|1,0,0]=3 5138 B15R0.322 CCCCC/C=C/CCC(=O)NNCCO 22a_100000210001_200015255902 [0,2,0,0,0,0|1,0,0]=3 5139 B15R0.322 CCCCCC/C=C/CC(=O)CCOCC 1458a_100020681715_100011215890 [0,2,0,0,0,0|0,0,2]=4 5140 B15R0.322 CCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210670 [0,2,0,0,0,0|0,0,2]=4 5141 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [0,2,0,0,0,0|0,0,2]=4 5142 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [0,2,0,0,0,0|0,0,2]=4 5143 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [0,2,0,0,0,0|0,0,2]=4 5144 B15R0.322 CCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210670 [0,2,0,0,0,0|0,0,2]=4 5145 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [0,2,0,0,0,0|0,0,2]=4 5146 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [0,2,0,0,0,0|0,0,2]=4 5147 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [0,2,0,0,0,0|0,0,2]=4 5148 B15R0.322 CCCCCCCCCC(=O)OCSCF 62a_100015361967_200010990708 [0,2,0,0,0,0|0,0,2]=4 5149 B15R0.3180 CCCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210326 [0,2,0,0,0,0|1,0,1]=4 5150 B15R0.3180 CCCCCC(=O)CCCC(=O)NCCC 1458a_100000212188_100011194427 [0,2,0,0,0,0|1,0,1]=4 5151 B15R0.3180 CCCCCC(=O)CSCC(=O)OCCC 62a_200011215008_200012276598 [0,2,0,0,0,0|1,0,1]=4 5152 B15R0.3180 CCCCCC(=O)CSCC(=O)OCCC 62a_200012276598_200011215008 [0,2,0,0,0,0|1,0,1]=4 5153 B15R0.1575 C#CC(CCCCC)OCCC(=O)OCC 34a_100011216489_100000765890 [0,2,0,0,0,0|1,0,1]=4 5154 B15R0.1575 C#CC(CCCCC)OCCC(=O)OCC 7a_100011216489_100011206558 [0,2,0,0,0,0|1,0,1]=4 5155 B15R0.1575 C=CC(CCCCC)OCCC(=O)OCC 34a_100011216863_100000765890 [0,2,0,0,0,0|1,0,1]=4 5156 B15R0.1575 C=CC(CCCCC)OCCC(=O)OCC 7a_100011216863_100011206558 [0,2,0,0,0,0|1,0,1]=4 5157 B15R0.1575 CCCCCC(CC)OCCC(=O)OCC 34a_100011215405_100000765890 [0,2,0,0,0,0|1,0,1]=4 5158 B15R0.1575 CCCCCC(CC)OCCC(=O)OCC 7a_100011215405_100011206558 [0,2,0,0,0,0|1,0,1]=4 5159 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [1,0,0,1,0,0|1,0,1]=4 5160 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [1,0,0,1,0,0|2,0,0]=4 5161 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [1,0,0,1,0,0|2,0,0]=4 5162 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,1,0,0|2,0,0]=4 5163 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [1,0,0,1,0,0|2,0,0]=4 5164 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [1,0,0,1,0,0|1,0,1]=4 5165 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [1,0,0,1,0,0|1,0,1]=4 5166 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [1,0,0,1,0,0|2,0,0]=4 5167 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [1,0,0,1,0,0|2,0,0]=4 5168 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [1,0,0,1,0,0|1,0,1]=4 5169 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [1,0,0,1,0,0|1,0,1]=4 5170 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [1,0,0,1,0,0|1,0,1]=4 5171 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [1,0,0,1,0,0|2,0,0]=4 5172 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [1,0,0,1,0,0|2,0,0]=4 5173 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [1,0,0,1,0,0|2,0,0]=4 5174 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [1,0,0,1,0,0|2,0,0]=4 5175 B13R1.42 CCOC(=O)CCN1CCOCC1 2230a_100015191051_100011206558 [1,0,0,1,0,0|2,0,0]=4 5176 B13R1.42 CCOC(=O)CCN1CCOCC1 269982a_100015191051_100011206558 [1,0,0,1,0,0|2,0,0]=4 5177 B13R1.42 CCOC(=O)CCN1CCOCC1 34a_100015191051_100000765890 [1,0,0,1,0,0|2,0,0]=4 5178 B13R1.42 CCOC(=O)CCN1CCSCC1 2230a_100000737611_100011206558 [1,0,0,1,0,0|2,0,0]=4 5179 B13R1.42 CCOC(=O)CCN1CCSCC1 269982a_100000737611_100011206558 [1,0,0,1,0,0|2,0,0]=4 5180 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [1,0,0,1,0,0|1,0,1]=4 5181 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [1,0,0,1,0,0|1,0,1]=4 5182 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [1,0,0,1,0,0|1,0,1]=4 5183 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [1,0,0,1,0,0|1,0,1]=4 5184 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [1,0,0,1,0,0|1,0,1]=4 5185 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [1,0,0,1,0,0|1,0,1]=4 5186 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [1,0,0,1,0,0|1,0,1]=4 5187 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [1,0,0,1,0,0|1,0,1]=4 5188 B13R1.208 CCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210303 [1,0,0,1,0,0|2,0,0]=4 5189 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [1,0,0,1,0,0|1,0,1]=4 5190 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [1,0,0,1,0,0|1,0,1]=4 5191 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [1,0,0,1,0,0|2,0,0]=4 5192 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [1,0,0,1,0,0|2,0,0]=4 5193 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [1,0,0,1,0,0|2,0,0]=4 5194 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [1,0,0,1,0,0|2,0,0]=4 5195 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [1,0,0,1,0,0|2,0,0]=4 5196 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [1,0,0,1,0,0|2,0,0]=4 5197 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [1,0,0,1,0,0|1,0,1]=4 5198 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [1,0,0,1,0,0|1,0,1]=4 5199 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [1,0,0,1,0,0|1,0,0]=3 5200 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [1,0,0,1,0,0|1,0,0]=3 5201 B13R1.404 CCOC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100011206558 [1,0,0,1,0,0|2,0,0]=4 5202 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100011206558 [1,0,0,1,0,0|2,0,0]=4 5203 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000765890 [1,0,0,1,0,0|2,0,0]=4 5204 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [1,0,0,1,0,0|1,0,0]=3 5205 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [1,0,0,1,0,0|1,0,0]=3 5206 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [1,0,0,1,0,0|2,0,0]=4 5207 B13R1.404 CCOC(=O)CCOC1CCSC1 7a_100011232664_100011206558 [1,0,0,1,0,0|2,0,0]=4 5208 B13R1.404 CCOC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000765890 [1,0,0,1,0,0|2,0,0]=4 5209 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [1,0,0,1,0,0|1,0,0]=3 5210 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [1,0,0,1,0,0|1,0,0]=3 5211 B13R1.404 CCOC(=O)CCSC1CCOC1 62a_100000765890_100000690089 [1,0,0,1,0,0|2,0,0]=4 5212 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [1,0,0,1,0,0|1,0,1]=4 5213 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [1,0,0,1,0,0|1,0,1]=4 5214 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [1,0,0,1,0,0|1,0,1]=4 5215 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [1,0,0,1,0,0|1,0,1]=4 5216 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [1,0,0,1,0,0|1,0,1]=4 5217 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [1,0,0,1,0,0|1,0,1]=4 5218 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [1,0,0,1,0,0|2,0,0]=4 5219 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [1,0,0,1,0,0|1,0,1]=4 5220 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [1,0,0,1,0,0|1,0,1]=4 5221 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [1,0,0,1,0,0|1,0,1]=4 5222 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737597 [1,0,0,1,0,0|2,0,0]=4 5223 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737597 [1,0,0,1,0,0|2,0,0]=4 5224 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737597 [1,0,0,1,0,0|2,0,0]=4 5225 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737597 [1,0,0,1,0,0|2,0,0]=4 5226 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [1,0,0,1,0,0|1,0,0]=3 5227 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [1,0,0,1,0,0|1,0,0]=3 5228 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [1,0,0,1,0,0|1,0,0]=3 5229 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [1,0,0,1,0,0|1,0,0]=3 5230 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [1,0,0,1,0,0|1,0,0]=3 5231 B13R1.444 CCOC(=O)CCN1CCSC1C 2230a_200011216479_100011206558 [1,0,0,1,0,0|2,0,0]=4 5232 B13R1.444 CCOC(=O)CCN1CCSC1C 269982a_200011216479_100011206558 [1,0,0,1,0,0|2,0,0]=4 5233 B13R1.444 CCOC(=O)CCN1CCSC1C 34a_200011216479_100000765890 [1,0,0,1,0,0|2,0,0]=4 5234 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [1,0,0,1,0,0|1,0,1]=4 5235 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [1,0,0,1,0,0|1,0,1]=4 5236 B13R1.447 CCNC(=O)CCOCC1CC1C 7a_100000744939_100000737597 [1,0,0,1,0,0|2,0,0]=4 5237 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [1,0,0,1,0,0|1,0,0]=3 5238 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [1,0,0,1,0,0|1,0,0]=3 5239 B13R1.448 CCNC(=O)CCNCC1CCC1 2230a_100000738700_100000737597 [1,0,0,1,0,0|2,0,0]=4 5240 B13R1.448 CCNC(=O)CCNCC1CCC1 269862a_100025743525_100000753134 [1,0,0,1,0,0|2,0,0]=4 5241 B13R1.448 CCNC(=O)CCNCC1CCC1 34a_100025743525_100000763275 [1,0,0,1,0,0|2,0,0]=4 5242 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000737597_100000763275 [1,0,0,1,0,0|2,0,0]=4 5243 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000763275_100000737597 [1,0,0,1,0,0|2,0,0]=4 5244 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [1,0,0,1,0,0|1,0,1]=4 5245 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [1,0,0,1,0,0|1,0,1]=4 5246 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [1,0,0,1,0,0|1,0,1]=4 5247 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [1,0,0,1,0,0|1,0,1]=4 5248 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [1,0,0,1,0,0|1,0,1]=4 5249 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [1,0,0,1,0,0|1,0,0]=3 5250 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [1,0,0,1,0,0|1,0,0]=3 5251 B13R1.448 CCOC(=O)CCNCC1COC1 2230a_100015281925_100011206558 [1,0,0,1,0,0|2,0,0]=4 5252 B13R1.448 CCOC(=O)CCNCC1COC1 34a_100015281925_100000765890 [1,0,0,1,0,0|2,0,0]=4 5253 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100011206558 [1,0,0,1,0,0|2,0,0]=4 5254 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000765890 [1,0,0,1,0,0|2,0,0]=4 5255 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [1,0,0,1,0,0|1,0,0]=3 5256 B13R1.448 CCOC(=O)CCOCC1CCO1 34a_100000039022_100000765890 [1,0,0,1,0,0|2,0,0]=4 5257 B13R1.448 CCOC(=O)CCOCC1CNC1 34a_100016987283_100000765890 [1,0,0,1,0,0|2,0,0]=4 5258 B13R1.448 CCOC(=O)CCOCC1COC1 34a_100000060846_100000765890 [1,0,0,1,0,0|2,0,0]=4 5259 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [1,0,0,1,0,0|1,0,0]=3 5260 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [1,0,0,1,0,0|1,0,0]=3 5261 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000103362_100000765890 [1,0,0,1,0,0|2,0,0]=4 5262 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000765890_100000103362 [1,0,0,1,0,0|2,0,0]=4 5263 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100000765890_100010264016 [1,0,0,1,0,0|2,0,0]=4 5264 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100010264016_100000765890 [1,0,0,1,0,0|2,0,0]=4 5265 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [1,0,0,1,0,0|2,0,0]=4 5266 B13R1.453 CCNC(=O)CCNCCC1CC1 34a_100025743525_100000694398 [1,0,0,1,0,0|2,0,0]=4 5267 B13R1.453 CCNC(=O)CCOCCC1CC1 7a_100000754188_100000737597 [1,0,0,1,0,0|2,0,0]=4 5268 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000737597_100000764125 [1,0,0,1,0,0|2,0,0]=4 5269 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000764125_100000737597 [1,0,0,1,0,0|2,0,0]=4 5270 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [1,0,0,1,0,0|1,0,1]=4 5271 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [1,0,0,1,0,0|1,0,1]=4 5272 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [1,0,0,1,0,0|1,0,1]=4 5273 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [1,0,0,1,0,0|1,0,1]=4 5274 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [1,0,0,1,0,0|1,0,1]=4 5275 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [1,0,0,1,0,0|1,0,1]=4 5276 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [1,0,0,1,0,0|1,0,1]=4 5277 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [1,0,0,1,0,0|1,0,1]=4 5278 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [1,0,0,1,0,0|1,0,0]=3 5279 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [1,0,0,1,0,0|1,0,0]=3 5280 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [1,0,0,1,0,0|1,0,0]=3 5281 B13R1.453 CCOC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000765890 [1,0,0,1,0,0|2,0,0]=4 5282 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [1,0,0,1,0,0|1,0,0]=3 5283 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [1,0,0,1,0,0|1,0,0]=3 5284 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000732470_100000765890 [1,0,0,1,0,0|2,0,0]=4 5285 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000765890_100000732470 [1,0,0,1,0,0|2,0,0]=4 5286 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [1,0,0,1,0,0|2,0,0]=4 5287 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [1,0,0,1,0,0|1,0,1]=4 5288 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [1,0,0,1,0,0|1,0,1]=4 5289 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [1,0,0,1,0,0|1,0,1]=4 5290 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [1,0,0,1,0,0|1,0,1]=4 5291 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [1,0,0,1,0,0|1,0,1]=4 5292 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [1,0,0,1,0,0|1,0,1]=4 5293 B13R1.464 CCOC(=O)C1CSCCN1CC 2230a_100000735462_100000210202 [1,0,0,1,0,0|2,0,0]=4 5294 B13R1.464 CCOC(=O)C1CSCCN1CC 269982a_100000735462_100000204670 [1,0,0,1,0,0|2,0,0]=4 5295 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 2230a_100015229691_100000210202 [1,0,0,1,0,0|2,0,0]=4 5296 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 269982a_100015229691_100000204670 [1,0,0,1,0,0|2,0,0]=4 5297 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [1,0,0,1,0,0|1,0,1]=4 5298 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [1,0,0,1,0,0|1,0,1]=4 5299 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [1,0,0,1,0,0|1,0,1]=4 5300 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [1,0,0,1,0,0|1,0,1]=4 5301 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [1,0,0,1,0,0|1,0,1]=4 5302 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [1,0,0,1,0,0|1,0,1]=4 5303 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [1,0,0,1,0,0|1,0,1]=4 5304 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|1,0,1]=4 5305 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|1,0,1]=4 5306 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|1,0,1]=4 5307 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|1,0,1]=4 5308 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|1,0,1]=4 5309 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 5310 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [1,0,0,1,0,0|2,0,0]=4 5311 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [1,0,0,1,0,0|2,0,0]=4 5312 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [1,0,0,1,0,0|1,0,1]=4 5313 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [1,0,0,1,0,0|1,0,1]=4 5314 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [1,0,0,1,0,0|1,0,1]=4 5315 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [1,0,0,1,0,0|1,0,1]=4 5316 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [1,0,0,1,0,0|1,0,1]=4 5317 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [1,0,0,1,0,0|1,0,1]=4 5318 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [1,0,0,1,0,0|1,0,1]=4 5319 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [1,0,0,1,0,0|1,0,1]=4 5320 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [1,0,0,1,0,0|1,0,1]=4 5321 B13R1.579 CCCCC1C=CCN1COCC 269982a_100015184376_100000739092 [1,0,0,1,0,0|1,0,1]=4 5322 B13R1.659 CC/C=C/CC/C=C/COC1CC1 34a_100016264143_100000211595 [1,0,0,1,0,0|2,0,0]=4 5323 B13R1.659 CCCCC/C=C\CCOC1CC1 34a_100016277358_100000211595 [1,0,0,1,0,0|2,0,0]=4 5324 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [1,0,0,1,0,0|1,0,1]=4 5325 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [1,0,0,1,0,0|1,0,1]=4 5326 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,0,0,1,0,0|1,0,1]=4 5327 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [1,0,0,1,0,0|1,0,1]=4 5328 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [1,0,0,1,0,0|1,0,1]=4 5329 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [1,0,0,1,0,0|1,0,1]=4 5330 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [1,0,0,1,0,0|1,0,1]=4 5331 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [1,0,0,1,0,0|1,0,1]=4 5332 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [1,0,0,1,0,0|1,0,1]=4 5333 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [1,0,0,1,0,0|1,0,1]=4 5334 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [1,0,0,1,0,0|1,0,1]=4 5335 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [1,0,0,1,0,0|1,0,1]=4 5336 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [1,0,0,1,0,0|1,0,1]=4 5337 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [1,0,0,1,0,0|1,0,1]=4 5338 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [1,0,0,1,0,0|1,0,1]=4 5339 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [1,0,0,1,0,0|1,0,1]=4 5340 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [1,0,0,1,0,0|1,0,1]=4 5341 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [1,0,0,1,0,0|1,0,1]=4 5342 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [1,0,0,1,0,0|1,0,1]=4 5343 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [1,0,0,1,0,0|1,0,1]=4 5344 B13R1.539 COC(=O)CCC=NNC1CCC1 4a_100000736358_100012047195 [1,0,0,1,0,0|2,0,0]=4 5345 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [1,0,0,1,0,0|1,0,1]=4 5346 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [1,0,0,1,0,0|1,0,1]=4 5347 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [1,0,0,1,0,0|1,0,1]=4 5348 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [1,0,0,1,0,0|1,0,1]=4 5349 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [1,0,0,1,0,0|1,0,1]=4 5350 B13R1.581 CCCCC1C=CCN1C(=O)CC 11a_100015184376_100000210414 [1,0,0,1,0,0|1,0,0]=3 5351 B13R1.581 CCCCC1C=CCN1C(=O)CC 1626a_100015184376_100000210414 [1,0,0,1,0,0|1,0,0]=3 5352 B13R1.581 CCCCC1C=CCN1C(=O)CC 240690a_100015184376_100000210414 [1,0,0,1,0,0|1,0,0]=3 5353 B13R1.581 CCCCC1C=CCN1C(=O)CC 527a_100015184376_100000210414 [1,0,0,1,0,0|1,0,0]=3 5354 B13R1.581 CCCCC1C=CCN1C(=O)CO 240690a_100015184376_100000210174 [1,0,0,1,0,0|2,0,0]=4 5355 B13R1.581 CCCCC1C=CCN1C(=O)CO 527a_100015184376_100000210174 [1,0,0,1,0,0|2,0,0]=4 5356 B13R1.581 CCCCC1C=CCN1C(=O)NC 2708a_100102657272_100015184376 [1,0,0,1,0,0|2,0,0]=4 5357 B13R1.581 CCCCC1C=CCN1C(=O)NC 273464a_100102657272_100015184376 [1,0,0,1,0,0|2,0,0]=4 5358 B13R1.594 COC(=O)CCC=NNCC1CC1 4a_100000736359_100012047195 [1,0,0,1,0,0|2,0,0]=4 5359 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [1,0,0,1,0,0|1,0,1]=4 5360 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [1,0,0,1,0,0|1,0,1]=4 5361 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [1,0,0,1,0,0|1,0,1]=4 5362 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [1,0,0,1,0,0|1,0,1]=4 5363 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [1,0,0,1,0,0|1,0,1]=4 5364 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [1,0,0,1,0,0|1,0,1]=4 5365 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [1,0,0,1,0,0|1,0,1]=4 5366 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [1,0,0,1,0,0|1,0,1]=4 5367 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [1,0,0,1,0,0|1,0,1]=4 5368 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [1,0,0,1,0,0|1,0,1]=4 5369 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [1,0,0,1,0,0|1,0,1]=4 5370 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [1,0,0,1,0,0|1,0,1]=4 5371 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [1,0,0,1,0,0|1,0,1]=4 5372 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [1,0,0,1,0,0|1,0,1]=4 5373 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [1,0,0,1,0,0|1,0,1]=4 5374 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [1,0,0,1,0,0|0,0,2]=4 5375 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [1,0,0,1,0,0|0,0,2]=4 5376 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [1,0,0,1,0,0|1,0,1]=4 5377 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [1,0,0,1,0,0|1,0,1]=4 5378 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [1,0,0,1,0,0|1,0,1]=4 5379 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [1,0,0,1,0,0|1,0,1]=4 5380 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [1,0,0,1,0,0|1,0,1]=4 5381 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [1,0,0,1,0,0|1,0,1]=4 5382 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [1,0,0,1,0,0|1,0,1]=4 5383 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [1,0,0,1,0,0|1,0,1]=4 5384 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [1,0,0,1,0,0|1,0,1]=4 5385 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [1,0,0,1,0,0|1,0,1]=4 5386 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [1,0,0,1,0,0|1,0,1]=4 5387 B13R1.1711 CCC(=O)CNC1=NCCCCC1 1458a_100000016077_100000210202 [1,0,0,1,0,0|2,0,0]=4 5388 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [1,0,0,1,0,0|1,0,1]=4 5389 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [1,0,0,1,0,0|1,0,1]=4 5390 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [1,0,0,1,0,0|1,0,1]=4 5391 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [1,0,0,1,0,0|1,0,1]=4 5392 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [1,0,0,1,0,0|1,0,1]=4 5393 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [1,0,0,1,0,0|1,0,1]=4 5394 B15R1.633 CCOC(=O)CCCN1CCCC(C1)F 2230a_100000697950_100009991533 [0,1,0,1,0,0|1,0,1]=4 5395 B15R1.633 CCOC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100009991533 [0,1,0,1,0,0|1,0,1]=4 5396 B15R1.633 CCOC(=O)CCCN1CCCC(C1)F 34a_100000697950_100009991533 [0,1,0,1,0,0|1,0,1]=4 5397 B15R1.633 CCOC(=O)CCCN1CCCC(C1)O 2230a_100000211013_100009991533 [0,1,0,1,0,0|1,0,1]=4 5398 B15R1.633 CCOC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100009991533 [0,1,0,1,0,0|1,0,1]=4 5399 B15R1.633 CCOC(=O)CCCN1CCC[C@@H](C1)C 2230a_100000717927_100009991533 [0,1,0,1,0,0|1,0,1]=4 5400 B15R1.633 CCOC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100009991533 [0,1,0,1,0,0|1,0,1]=4 5401 B15R1.633 CCOC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100009991533 [0,1,0,1,0,0|1,0,1]=4 5402 B15R1.633 CCOC(=O)CCNC1CCCC(C1)C 2230a_100011194320_100011206558 [0,1,0,1,0,0|1,0,1]=4 5403 B15R1.633 CCOC(=O)CCNC1CCCC(C1)C 34a_100011194320_100000765890 [0,1,0,1,0,0|1,0,1]=4 5404 B15R1.633 CCOC(=O)CCNC1CCCC(C1)O 2230a_100015190357_100011206558 [0,1,0,1,0,0|1,0,1]=4 5405 B15R1.633 CCOC(=O)CCOC1CCCC(C1)C 34a_100000211399_100000765890 [0,1,0,1,0,0|1,0,1]=4 5406 B15R1.784 CCOC(=O)CCCNCC1CC(C1)O 2230a_100016992100_100009991533 [0,1,0,1,0,0|1,0,1]=4 5407 B15R1.784 CCOC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100009991533 [0,1,0,1,0,0|1,0,1]=4 5408 B15R1.795 CCOC(=O)CCCCCN1CCCC1 2230a_100000188435_100000755133 [0,1,0,1,0,0|0,0,2]=4 5409 B15R1.795 CCOC(=O)CCCCCN1CCCC1 269982a_100000188435_100000755133 [0,1,0,1,0,0|0,0,2]=4 5410 B15R1.795 CCOC(=O)CCCCNC1CCCC1 2230a_100000211070_100000750268 [0,1,0,1,0,0|0,0,2]=4 5411 B15R1.795 CCOC(=O)CCCCNC1CCCC1 34a_100000211070_100000750268 [0,1,0,1,0,0|0,0,2]=4 5412 B15R1.795 CCOC(=O)CCCCOC1CCCC1 34a_100000210269_100000750268 [0,1,0,1,0,0|0,0,2]=4 5413 B15R1.795 CCOC(=O)CCCCOC1CCCC1 7a_100000210269_100000750268 [0,1,0,1,0,0|0,0,2]=4 5414 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100000750268_100000179811 [0,1,0,1,0,0|0,0,2]=4 5415 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100011217020_100000750268 [0,1,0,1,0,0|0,0,2]=4 5416 B15R1.795 CCOC(=O)CCCNCC1CCCC1 2230a_100000737975_100009991533 [0,1,0,1,0,0|0,0,2]=4 5417 B15R1.795 CCOC(=O)CCCNCC1CCCC1 34a_100000737975_100009991533 [0,1,0,1,0,0|0,0,2]=4 5418 B15R1.795 CCOC(=O)CCCNCC1CCOC1 2230a_100000737293_100009991533 [0,1,0,1,0,0|1,0,1]=4 5419 B15R1.795 CCOC(=O)CCCNCC1CCOC1 34a_100000737293_100009991533 [0,1,0,1,0,0|1,0,1]=4 5420 B15R1.795 CCOC(=O)CCCNC[C@@H]1CCCO1 2230a_100020590478_100009991533 [0,1,0,1,0,0|1,0,1]=4 5421 B15R1.795 CCOC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100009991533 [0,1,0,1,0,0|1,0,1]=4 5422 B15R1.795 CCOC(=O)CCCOCC1CCCC1 34a_100000742336_100009991533 [0,1,0,1,0,0|0,0,2]=4 5423 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100000742336_100011215271 [0,1,0,1,0,0|0,0,2]=4 5424 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100012001163_100000740388 [0,1,0,1,0,0|0,0,2]=4 5425 B15R1.795 CCOC(=O)CCCOCC1CCCO1 34a_100000210270_100009991533 [0,1,0,1,0,0|1,0,1]=4 5426 B15R1.795 CCOC(=O)CCCOCC1CCCO1 7a_100000210270_100011215271 [0,1,0,1,0,0|1,0,1]=4 5427 B15R1.795 CCOC(=O)CCCOCC1CCCO1 7a_100012001163_100000203698 [0,1,0,1,0,0|1,0,1]=4 5428 B15R1.795 CCOC(=O)CCCOCC1CCNC1 34a_100000748654_100009991533 [0,1,0,1,0,0|1,0,1]=4 5429 B15R1.795 CCOC(=O)CCCOCC1CCOC1 34a_100000740260_100009991533 [0,1,0,1,0,0|1,0,1]=4 5430 B15R1.795 CCOC(=O)CCCOCC1CCOC1 7a_100012001163_100000702531 [0,1,0,1,0,0|1,0,1]=4 5431 B15R1.795 CCOC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100009991533 [0,1,0,1,0,0|1,0,1]=4 5432 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100000740388_100009991533 [0,1,0,1,0,0|0,0,2]=4 5433 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100009991533_100000740388 [0,1,0,1,0,0|0,0,2]=4 5434 B15R1.795 CCOC(=O)CCCSCC1CCCO1 62a_100000203698_100009991533 [0,1,0,1,0,0|1,0,1]=4 5435 B15R1.795 CCOC(=O)CCCSCC1CCCO1 62a_100009991533_100000203698 [0,1,0,1,0,0|1,0,1]=4 5436 B15R1.795 CCOC(=O)CCCSCC1CCOC1 62a_100000702531_100009991533 [0,1,0,1,0,0|1,0,1]=4 5437 B15R1.795 CCOC(=O)CCCSCC1CCOC1 62a_100009991533_100000702531 [0,1,0,1,0,0|1,0,1]=4 5438 B15R1.795 CCOC(=O)CCNCCC1CCCC1 2230a_100000739158_100011206558 [0,1,0,1,0,0|0,0,2]=4 5439 B15R1.795 CCOC(=O)CCNCCC1CCCC1 34a_100000739158_100000765890 [0,1,0,1,0,0|0,0,2]=4 5440 B15R1.795 CCOC(=O)CCOCCC1CCCC1 34a_100000749090_100000765890 [0,1,0,1,0,0|0,0,2]=4 5441 B15R1.795 CCOC(=O)CCOCCC1CCCC1 7a_100000749090_100011206558 [0,1,0,1,0,0|0,0,2]=4 5442 B15R1.795 CCOC(=O)CCOCCC1CCNC1 34a_100016987287_100000765890 [0,1,0,1,0,0|1,0,1]=4 5443 B15R1.795 CCOC(=O)CCOCCC1CCOC1 34a_100011879284_100000765890 [0,1,0,1,0,0|1,0,1]=4 5444 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000760354_100000765890 [0,1,0,1,0,0|0,0,2]=4 5445 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000765890_100000760354 [0,1,0,1,0,0|0,0,2]=4 5446 B15R1.795 CCOC(=O)CCSCCN1CCCC1 62a_100000700749_100000765890 [0,1,0,1,0,0|1,0,1]=4 5447 B15R1.795 CCOC(=O)CCSCCN1CCCC1 62a_100000765890_100000004467 [0,1,0,1,0,0|1,0,1]=4 5448 B15R1.795 CCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000188475 [0,1,0,1,0,0|0,0,2]=4 5449 B15R1.795 CCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000188475 [0,1,0,1,0,0|0,0,2]=4 5450 B15R1.795 CCOC(=O)CNCCOC1CCCC1 34a_100000741755_100000188475 [0,1,0,1,0,0|1,0,1]=4 5451 B15R1.795 CCOC(=O)COCCCC1CCCC1 34a_100011215328_100000188475 [0,1,0,1,0,0|0,0,2]=4 5452 B15R1.795 CCOC(=O)COCCCC1CCCC1 7a_100011215328_100000188475 [0,1,0,1,0,0|0,0,2]=4 5453 B15R1.795 CCOC(=O)COCCNC1CCCC1 2230a_100000211070_100000088970 [0,1,0,1,0,0|1,0,1]=4 5454 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_100000211070_100000088970 [0,1,0,1,0,0|1,0,1]=4 5455 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_200000200444_100000188475 [0,1,0,1,0,0|1,0,1]=4 5456 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000210269_100000088970 [0,1,0,1,0,0|1,0,1]=4 5457 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000738311_100000188475 [0,1,0,1,0,0|1,0,1]=4 5458 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000210269_100000088970 [0,1,0,1,0,0|1,0,1]=4 5459 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000738311_100000188475 [0,1,0,1,0,0|1,0,1]=4 5460 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100000088970_100000179811 [0,1,0,1,0,0|1,0,1]=4 5461 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100011217020_100000088970 [0,1,0,1,0,0|1,0,1]=4 5462 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100000188475_100011713738 [0,1,0,1,0,0|0,0,2]=4 5463 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000188475 [0,1,0,1,0,0|0,0,2]=4 5464 B15R1.795 CCOC(=O)CSCCOC1CCCC1 7a_200000230590_100000179811 [0,1,0,1,0,0|1,0,1]=4 5465 B15R1.795 CCOC(=O)NCCOCC1CCCC1 34a_100000158857_100000740388 [0,1,0,1,0,0|1,0,1]=4 5466 B15R1.795 CCOC(=O)NCCOCC1CCCC1 7a_100000742336_200011445536 [0,1,0,1,0,0|1,0,1]=4 5467 B15R1.795 CCOC(=O)NCCSCC1CCCC1 62a_100000740388_200011445536 [0,1,0,1,0,0|1,0,1]=4 5468 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000750268 [0,1,0,1,0,0|0,0,2]=4 5469 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000750268 [0,1,0,1,0,0|0,0,2]=4 5470 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000750268 [0,1,0,1,0,0|0,0,2]=4 5471 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000750268 [0,1,0,1,0,0|0,0,2]=4 5472 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000750268 [0,1,0,1,0,0|0,0,2]=4 5473 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 34a_100011216460_100009991533 [0,1,0,1,0,0|0,0,2]=4 5474 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 7a_100011216460_100011215271 [0,1,0,1,0,0|0,0,2]=4 5475 B15R1.3857 CCOC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009991533 [0,1,0,1,0,0|1,0,1]=4 5476 B15R1.3857 CCOC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009991533 [0,1,0,1,0,0|1,0,1]=4 5477 B15R1.3857 CCOC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009991533 [0,1,0,1,0,0|1,0,1]=4 5478 B15R1.3857 CCOC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100009991533_200016002552 [0,1,0,1,0,0|1,0,1]=4 5479 B15R1.3857 CCOC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009991533 [0,1,0,1,0,0|1,0,1]=4 5480 B15R1.3857 CCOC(=O)CCOCC1CCCN1C 34a_100000743107_100000765890 [0,1,0,1,0,0|1,0,1]=4 5481 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 2230a_100020605311_100000088970 [0,1,0,1,0,0|1,0,1]=4 5482 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 269982a_100020605311_100000088970 [0,1,0,1,0,0|1,0,1]=4 5483 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 2230a_100015189458_100000088970 [0,1,0,1,0,0|1,0,1]=4 5484 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 269982a_100015189458_100000088970 [0,1,0,1,0,0|1,0,1]=4 5485 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 34a_100015189458_100000088970 [0,1,0,1,0,0|1,0,1]=4 5486 B15R1.3857 CCOC(=O)NCCOC1CCCC1C 7a_100011216460_200011445536 [0,1,0,1,0,0|1,0,1]=4 5487 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)C 2230a_100025706717_100011206558 [0,1,0,1,0,0|1,0,1]=4 5488 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100011206558 [0,1,0,1,0,0|1,0,1]=4 5489 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)C 34a_100025706717_100000765890 [0,1,0,1,0,0|1,0,1]=4 5490 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100011206558 [0,1,0,1,0,0|1,0,1]=4 5491 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100011206558 [0,1,0,1,0,0|1,0,1]=4 5492 B15R1.10572 CCOC(=O)CCCNCC(O)C1CC1 2230a_100000751198_100009991533 [0,1,0,1,0,0|1,0,1]=4 5493 B15R1.10572 CCOC(=O)CCCNCC(O)C1CC1 34a_100000751198_100009991533 [0,1,0,1,0,0|1,0,1]=4 5494 B15R1.10572 CCOC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100009991533 [0,1,0,1,0,0|1,0,1]=4 5495 B15R1.35265 CCOC(=O)CCCNCC1(CCC1)C 2230a_100000706607_100009991533 [0,1,0,1,0,0|1,0,1]=4 5496 B15R1.35265 CCOC(=O)CCCNCC1(CCC1)O 2230a_100000752638_100009991533 [0,1,0,1,0,0|1,0,1]=4 5497 B15R1.35265 CCOC(=O)CCCOCC1(CCC1)C 7a_100012001163_100000726658 [0,1,0,1,0,0|1,0,1]=4 5498 B15R1.35265 CCOC(=O)CCCSCC1(CCC1)C 62a_100000726658_100009991533 [0,1,0,1,0,0|1,0,1]=4 5499 B15R1.35265 CCOC(=O)CCCSCC1(CCC1)C 62a_100009991533_100000726658 [0,1,0,1,0,0|1,0,1]=4 5500 B15R1.11 CCOC(=O)CCCN1CCC(CC1)C 2230a_100000188429_100009991533 [0,1,0,1,0,0|1,0,1]=4 5501 B15R1.11 CCOC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100009991533 [0,1,0,1,0,0|1,0,1]=4 5502 B15R1.11 CCOC(=O)CCCN1CCC(CC1)C 34a_100000188429_100009991533 [0,1,0,1,0,0|1,0,1]=4 5503 B15R1.11 CCOC(=O)CCCN1CCC(CC1)F 2230a_100015193889_100009991533 [0,1,0,1,0,0|1,0,1]=4 5504 B15R1.11 CCOC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100009991533 [0,1,0,1,0,0|1,0,1]=4 5505 B15R1.11 CCOC(=O)CCCN1CCC(CC1)F 34a_100015193889_100009991533 [0,1,0,1,0,0|1,0,1]=4 5506 B15R1.11 CCOC(=O)CCCN1CCC(CC1)O 2230a_100025773856_100009991533 [0,1,0,1,0,0|1,0,1]=4 5507 B15R1.11 CCOC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100009991533 [0,1,0,1,0,0|1,0,1]=4 5508 B15R1.11 CCOC(=O)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011206558 [0,1,0,1,0,0|1,0,1]=4 5509 B15R1.11 CCOC(=O)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000765890 [0,1,0,1,0,0|1,0,1]=4 5510 B15R1.11 CCOC(=O)CCOC1CCC(CC1)C 34a_100000210714_100000765890 [0,1,0,1,0,0|1,0,1]=4 5511 B15R1.11 CCOC(=O)CCOC1CCC(CC1)C 7a_100000210714_100011206558 [0,1,0,1,0,0|1,0,1]=4 5512 B15R1.11 CCOC(=O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000765890 [0,1,0,1,0,0|1,0,1]=4 5513 B15R1.11 CCOC(=O)CCSC1CCC(CC1)C 62a_100000765890_200011216234 [0,1,0,1,0,0|1,0,1]=4 5514 B15R1.777 CCOC(=O)CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009991533 [0,1,0,1,0,0|1,0,1]=4 5515 B15R1.777 CCOC(=O)CCCOC1CCC(C1)C 34a_100000698185_100009991533 [0,1,0,1,0,0|1,0,1]=4 5516 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 34a_100000744939_100000750268 [0,1,0,1,0,0|0,0,2]=4 5517 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 7a_100000744939_100000750268 [0,1,0,1,0,0|0,0,2]=4 5518 B15R1.1263 CCOC(=O)COCCOCC1CC1C 34a_100000744939_100000088970 [0,1,0,1,0,0|1,0,1]=4 5519 B15R1.1263 CCOC(=O)COCCOCC1CC1C 7a_100000744939_100000088970 [0,1,0,1,0,0|1,0,1]=4 5520 B15R1.1264 CCOC(=O)CCCCCCN1CCC1 269982a_100000754969_100009814379 [0,1,0,1,0,0|0,0,2]=4 5521 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 2230a_100000749019_100000755133 [0,1,0,1,0,0|0,0,2]=4 5522 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 34a_100000749019_100000755133 [0,1,0,1,0,0|0,0,2]=4 5523 B15R1.1264 CCOC(=O)CCCCCOC1CCC1 34a_100000748187_100000755133 [0,1,0,1,0,0|0,0,2]=4 5524 B15R1.1264 CCOC(=O)CCCCCSC1CCC1 62a_100000755133_100000749161 [0,1,0,1,0,0|0,0,2]=4 5525 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 2230a_100000738700_100000750268 [0,1,0,1,0,0|0,0,2]=4 5526 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 34a_100000738700_100000750268 [0,1,0,1,0,0|0,0,2]=4 5527 B15R1.1264 CCOC(=O)CCCCOCC1CCC1 34a_100000760304_100000750268 [0,1,0,1,0,0|0,0,2]=4 5528 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000750268_100000763275 [0,1,0,1,0,0|0,0,2]=4 5529 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000763275_100000750268 [0,1,0,1,0,0|0,0,2]=4 5530 B15R1.1264 CCOC(=O)CCCOCCC1COC1 34a_100009855314_100009991533 [0,1,0,1,0,0|1,0,1]=4 5531 B15R1.1264 CCOC(=O)COCCNCC1CCC1 2230a_100000738700_100000088970 [0,1,0,1,0,0|1,0,1]=4 5532 B15R1.1264 CCOC(=O)COCCNCC1CCC1 34a_100000738700_100000088970 [0,1,0,1,0,0|1,0,1]=4 5533 B15R1.1264 CCOC(=O)COCCOCC1CCC1 34a_100000760304_100000088970 [0,1,0,1,0,0|1,0,1]=4 5534 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000088970_100000763275 [0,1,0,1,0,0|1,0,1]=4 5535 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000763275_100000088970 [0,1,0,1,0,0|1,0,1]=4 5536 B15R1.1264 CCOC(=O)CSCCOCC1CCC1 7a_200000230590_100000763275 [0,1,0,1,0,0|1,0,1]=4 5537 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 269982a_100000755817_100000755133 [0,1,0,1,0,0|0,0,2]=4 5538 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 34a_100000755817_100000755133 [0,1,0,1,0,0|0,0,2]=4 5539 B15R1.809 CCCC(=O)CC(=O)C=C1CCCCC1 1458a_100000743792_100000747444 [0,1,0,1,0,0|1,0,1]=4 5540 B15R1.809 CCNC(=O)CC(=O)C=C1CCCCC1 1458a_100000743792_100000183381 [0,1,0,1,0,0|1,0,1]=4 5541 B15R1.809 CCOC(=O)CC(=O)C=C1CCCCC1 1458a_100000743792_100000188475 [0,1,0,1,0,0|0,0,1]=3 5542 B15R1.809 CCOC(=O)CC(=O)C=C1CCOCC1 1458a_100000761426_100000188475 [0,1,0,1,0,0|1,0,1]=4 5543 B15R1.809 CCOC(=O)CC(C)NC1CCCCC1 2230a_100000182618_100009817359 [0,1,0,1,0,0|1,0,1]=4 5544 B15R1.809 CCOC(=O)CC(C)OC1CCCCC1 7a_100000210231_100009817359 [0,1,0,1,0,0|1,0,1]=4 5545 B15R1.809 CCOC(=O)CC(C)SC1CCCCC1 62a_100000210327_100009817359 [0,1,0,1,0,0|1,0,1]=4 5546 B15R1.809 CCOC(=O)CC(C)SC1CCCCC1 62a_100009817359_100000210327 [0,1,0,1,0,0|1,0,1]=4 5547 B15R1.809 CCOC(=O)C[C@@H](C)OC1CCCCC1 7a_100009816390_100000210327 [0,1,0,1,0,0|1,0,1]=4 5548 B15R1.1284 CCOC(=O)CC(C)NCC1CCCC1 2230a_100000737975_100009817359 [0,1,0,1,0,0|1,0,1]=4 5549 B15R1.1284 CCOC(=O)CC(C)OCC1CCCC1 7a_100000742336_100009817359 [0,1,0,1,0,0|1,0,1]=4 5550 B15R1.1284 CCOC(=O)CC(C)SCC1CCCC1 62a_100000740388_100009817359 [0,1,0,1,0,0|1,0,1]=4 5551 B15R1.1284 CCOC(=O)CC(C)SCC1CCCC1 62a_100009817359_100000740388 [0,1,0,1,0,0|1,0,1]=4 5552 B15R1.1284 CCOC(=O)C[C@@H](C)OCC1CCCC1 7a_100009816390_100000740388 [0,1,0,1,0,0|1,0,1]=4 5553 B15R1.1284 CCOC(=O)C[C@H](O)CNC1CCCC1 34a_100000211070_100000688340 [0,1,0,1,0,0|1,0,1]=4 5554 B15R1.1284 CCOC(=O)C[C@H](O)COC1CCCC1 34a_100000210269_100000688340 [0,1,0,1,0,0|1,0,1]=4 5555 B15R1.1284 CCOC(=O)C[C@H](O)COC1CCCC1 7a_100000210269_100000688340 [0,1,0,1,0,0|1,0,1]=4 5556 B15R1.1284 CCOC(=O)C[C@H](O)CSC1CCCC1 62a_100000688340_100000179811 [0,1,0,1,0,0|1,0,1]=4 5557 B15R1.1284 CCOC(=O)C[C@H](O)CSC1CCCC1 62a_100011217020_100000688340 [0,1,0,1,0,0|1,0,1]=4 5558 B15R1.2617 CCOC(=O)C[C@H](O)COCC1CC1C 34a_100000744939_100000688340 [0,1,0,1,0,0|1,0,1]=4 5559 B15R1.2617 CCOC(=O)C[C@H](O)COCC1CC1C 7a_100000744939_100000688340 [0,1,0,1,0,0|1,0,1]=4 5560 B15R1.2618 CCOC(=O)C[C@H](O)CNCC1CCC1 34a_100000738700_100000688340 [0,1,0,1,0,0|1,0,1]=4 5561 B15R1.2618 CCOC(=O)C[C@H](O)COCC1CCC1 34a_100000760304_100000688340 [0,1,0,1,0,0|1,0,1]=4 5562 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1CCC1 62a_100000688340_100000763275 [0,1,0,1,0,0|1,0,1]=4 5563 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1CCC1 62a_100000763275_100000688340 [0,1,0,1,0,0|1,0,1]=4 5564 B15R1.2619 CCOC(=O)C[C@H](O)CNCCC1CC1 34a_100000764129_100000688340 [0,1,0,1,0,0|1,0,1]=4 5565 B15R1.2619 CCOC(=O)C[C@H](O)COCCC1CC1 34a_100000754188_100000688340 [0,1,0,1,0,0|1,0,1]=4 5566 B15R1.2619 CCOC(=O)C[C@H](O)COCCC1CC1 7a_100000754188_100000688340 [0,1,0,1,0,0|1,0,1]=4 5567 B15R1.2619 CCOC(=O)C[C@H](O)CSCCC1CC1 62a_100000688340_100000764125 [0,1,0,1,0,0|1,0,1]=4 5568 B15R1.2619 CCOC(=O)C[C@H](O)CSCCC1CC1 62a_100000764125_100000688340 [0,1,0,1,0,0|1,0,1]=4 5569 B15R1.3722 CCOC(=O)CC(C)N1CCCCC1C 2230a_100000211376_100009817359 [0,1,0,1,0,0|1,0,1]=4 5570 B15R1.3722 CCOC(=O)CC(C)N1CCCCC1C 269982a_100000211376_100009817359 [0,1,0,1,0,0|1,0,1]=4 5571 B15R1.3728 CCOC(=O)CC(C)N1CCCC1CC 2230a_100000754278_100009817359 [0,1,0,1,0,0|1,0,1]=4 5572 B15R1.3728 CCOC(=O)CC(C)N1CCCC1CC 269982a_100000754278_100009817359 [0,1,0,1,0,0|1,0,1]=4 5573 B15R1.3730 CCOC(=O)CC(C)OC1CCCC1C 7a_100011216460_100009817359 [0,1,0,1,0,0|1,0,1]=4 5574 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100000688340 [0,1,0,1,0,0|1,0,1]=4 5575 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCC[C@H]1C 269982a_100015189458_100000688340 [0,1,0,1,0,0|1,0,1]=4 5576 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCC[C@H]1C 34a_100015189458_100000688340 [0,1,0,1,0,0|1,0,1]=4 5577 B15R1.4163 CCCCCNN=C1C=C(CC1)OCC 4a_100000694160_100000036251 [0,1,0,1,0,0|2,0,0]=4 5578 B15R1.5906 CCCCCC=CC(=O)C1CCCC1=O 1458a_100016263427_100000211823 [0,1,0,1,0,0|1,0,1]=4 5579 B15R1.5906 CCCCCC=CC(=O)C1CCOC1=O 1458a_100016263427_100000211211 [0,1,0,1,0,0|0,0,1]=3 5580 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000188475 [0,1,0,1,0,0|0,0,2]=4 5581 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000188475 [0,1,0,1,0,0|0,0,2]=4 5582 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000188475 [0,1,0,1,0,0|0,0,2]=4 5583 B15R1.11888 CCCCCC=CC(=O)CC(=O)C1CC1 1458a_100016263427_100000746382 [0,1,0,1,0,0|1,0,1]=4 5584 B15R1.16078 CCOC(=O)CC(C)N1CCCCCC1 2230a_100000185865_100009817359 [0,1,0,1,0,0|1,0,1]=4 5585 B15R1.16078 CCOC(=O)CC(C)N1CCCCCC1 269982a_100000185865_100009817359 [0,1,0,1,0,0|1,0,1]=4 5586 B15R1.1167 CCCCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210326 [0,1,0,1,0,0|1,0,1]=4 5587 B15R1.1167 CCCCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210215 [0,1,0,1,0,0|1,0,1]=4 5588 B15R1.5564 CCCCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210757 [0,1,0,1,0,0|1,0,1]=4 5589 B15R1.5564 CCCCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210326 [0,1,0,1,0,0|1,0,1]=4 5590 B15R1.5564 CCCCNN=C1CC(C1)C(=O)OCC 4a_100025702795_100000094141 [0,1,0,1,0,0|2,0,0]=4 5591 B15R1.34 CCCCC/C=C/CCc1nc(no1)C 270196a_100000212224_200015255902 [0,1,0,1,0,0|1,0,1]=4 5592 B15R1.3515 C=CCCC/C=C/COC1CCOC1=O 34a_200016268473_100000211211 [0,1,0,1,0,0|0,0,2]=4 5593 B15R1.3515 C=CCCC/C=C/COC1CCOC1=O 7a_200016268473_100000211211 [0,1,0,1,0,0|0,0,2]=4 5594 B15R1.3515 CCC/C=C/C=C/COC1CCOC1=O 34a_100016294078_100000211211 [0,1,0,1,0,0|0,0,2]=4 5595 B15R1.3515 CCCC/C=C\CCOC1CCOC1=O 34a_200016286491_100000211211 [0,1,0,1,0,0|0,0,2]=4 5596 B15R1.3515 CCCC/C=C\CCOC1CCOC1=O 7a_200016286491_100000211211 [0,1,0,1,0,0|0,0,2]=4 5597 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 34a_100016258190_100000709159 [0,1,0,1,0,0|1,0,0]=3 5598 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 7a_100016258190_100000211823 [0,1,0,1,0,0|1,0,0]=3 5599 B15R1.3515 CCCCC/C=C/COC1CCOC1=O 34a_100016258190_100000211211 [0,1,0,1,0,0|0,0,0]=2 5600 B15R1.3515 CCCCC/C=C/COC1CCOC1=O 7a_100016258190_100000211211 [0,1,0,1,0,0|0,0,0]=2 5601 B15R1.3515 CCCCCC#CCOC1CCOC1=O 34a_200000033628_100000211211 [0,1,0,1,0,0|0,0,2]=4 5602 B15R1.3515 CCCCCC#CCOC1CCOC1=O 7a_200000033628_100000211211 [0,1,0,1,0,0|0,0,2]=4 5603 B15R1.3515 CCCCCC#CCSC1CCOC1=O 62a_100000211211_100009816472 [0,1,0,1,0,0|0,0,2]=4 5604 B15R1.3515 CCCCCC#CCSC1CCOC1=O 62a_100009816472_100000211211 [0,1,0,1,0,0|0,0,2]=4 5605 B15R1.3515 CCCCCCCCNC1CCOC1=O 2230a_100000229939_100000211211 [0,1,0,1,0,0|0,0,2]=4 5606 B15R1.3515 CCCCCCCCNC1CCOC1=O 34a_100000229939_100000211211 [0,1,0,1,0,0|0,0,2]=4 5607 B15R1.3515 CCCCCCCCOC1CCOC1=O 34a_100000210232_100000211211 [0,1,0,1,0,0|0,0,2]=4 5608 B15R1.3515 CCCCCCCCOC1CCOC1=O 7a_100000210232_100000211211 [0,1,0,1,0,0|0,0,2]=4 5609 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000210759_100000211211 [0,1,0,1,0,0|0,0,2]=4 5610 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000211211_100000210317 [0,1,0,1,0,0|0,0,2]=4 5611 B15R1.3515 CCCCCNCCOC1CCOC1=O 34a_100000224656_100000211211 [0,1,0,1,0,0|1,0,1]=4 5612 B15R1.3515 CCCCCOCCOC1CCOC1=O 34a_100011215259_100000211211 [0,1,0,1,0,0|1,0,1]=4 5613 B15R1.3515 CCCCCOCCOC1CCOC1=O 7a_100011215259_100000211211 [0,1,0,1,0,0|1,0,1]=4 5614 B15R1.778 CCOC(=O)CCCNC1CCCCC1 2230a_100000182618_100009991533 [0,1,0,1,0,0|0,0,2]=4 5615 B15R1.778 CCOC(=O)CCCNC1CCCCC1 34a_100000182618_100009991533 [0,1,0,1,0,0|0,0,2]=4 5616 B15R1.778 CCOC(=O)CCCNC1CCCOC1 2230a_100000719290_100009991533 [0,1,0,1,0,0|1,0,1]=4 5617 B15R1.778 CCOC(=O)CCCNC1CCCOC1 34a_100000719290_100009991533 [0,1,0,1,0,0|1,0,1]=4 5618 B15R1.778 CCOC(=O)CCCNC1CCOCC1 2230a_100000741149_100009991533 [0,1,0,1,0,0|1,0,1]=4 5619 B15R1.778 CCOC(=O)CCCNC1CCOCC1 34a_100000741149_100009991533 [0,1,0,1,0,0|1,0,1]=4 5620 B15R1.778 CCOC(=O)CCCNC1CCSCC1 2230a_100000748639_100009991533 [0,1,0,1,0,0|1,0,1]=4 5621 B15R1.778 CCOC(=O)CCCNC1CCSCC1 34a_100000748639_100009991533 [0,1,0,1,0,0|1,0,1]=4 5622 B15R1.778 CCOC(=O)CCCOC1CCCCC1 34a_100000210231_100009991533 [0,1,0,1,0,0|0,0,2]=4 5623 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100000210231_100011215271 [0,1,0,1,0,0|0,0,2]=4 5624 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100012001163_100000210327 [0,1,0,1,0,0|0,0,2]=4 5625 B15R1.778 CCOC(=O)CCCOC1CCCCO1 34a_100000033831_100009991533 [0,1,0,1,0,0|1,0,1]=4 5626 B15R1.778 CCOC(=O)CCCOC1CCCOC1 34a_100000754041_100009991533 [0,1,0,1,0,0|1,0,1]=4 5627 B15R1.778 CCOC(=O)CCCOC1CCCOC1 7a_100012001163_100000693364 [0,1,0,1,0,0|1,0,1]=4 5628 B15R1.778 CCOC(=O)CCCOC1CCCSC1 7a_100015962668_100011215271 [0,1,0,1,0,0|1,0,1]=4 5629 B15R1.778 CCOC(=O)CCCOC1CCOCC1 34a_100000744328_100009991533 [0,1,0,1,0,0|1,0,1]=4 5630 B15R1.778 CCOC(=O)CCCOC1CCOCC1 7a_100012001163_100000686592 [0,1,0,1,0,0|1,0,1]=4 5631 B15R1.778 CCOC(=O)CCCOC1CCSCC1 34a_100000731022_100009991533 [0,1,0,1,0,0|1,0,1]=4 5632 B15R1.778 CCOC(=O)CCCOC1CCSCC1 7a_100000731022_100011215271 [0,1,0,1,0,0|1,0,1]=4 5633 B15R1.778 CCOC(=O)CCCOC1CCSCC1 7a_100012001163_100011500858 [0,1,0,1,0,0|1,0,1]=4 5634 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100000210327_100009991533 [0,1,0,1,0,0|0,0,2]=4 5635 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100009991533_100000210327 [0,1,0,1,0,0|0,0,2]=4 5636 B15R1.778 CCOC(=O)CCCSC1CCCOC1 62a_100009991533_100000693364 [0,1,0,1,0,0|1,0,1]=4 5637 B15R1.778 CCOC(=O)CCCSC1CCOCC1 62a_100009991533_100011324220 [0,1,0,1,0,0|1,0,1]=4 5638 B15R1.778 CCOC(=O)CCCSC1CCSCC1 62a_100009991533_100000069128 [0,1,0,1,0,0|1,0,1]=4 5639 B15R1.778 CCOC(=O)CCNCC1CCCCC1 2230a_100000210473_100011206558 [0,1,0,1,0,0|0,0,2]=4 5640 B15R1.778 CCOC(=O)CCNCC1CCCCC1 34a_100000210473_100000765890 [0,1,0,1,0,0|0,0,2]=4 5641 B15R1.778 CCOC(=O)CCNCC1CCCCO1 2230a_100000174945_100011206558 [0,1,0,1,0,0|1,0,1]=4 5642 B15R1.778 CCOC(=O)CCNCC1CCCCO1 34a_100000174945_100000765890 [0,1,0,1,0,0|1,0,1]=4 5643 B15R1.778 CCOC(=O)CCNCC1CCCOC1 2230a_100000720124_100011206558 [0,1,0,1,0,0|1,0,1]=4 5644 B15R1.778 CCOC(=O)CCNCC1CCCOC1 34a_100000720124_100000765890 [0,1,0,1,0,0|1,0,1]=4 5645 B15R1.778 CCOC(=O)CCNCC1CCOCC1 2230a_100000746373_100011206558 [0,1,0,1,0,0|1,0,1]=4 5646 B15R1.778 CCOC(=O)CCNCC1CCOCC1 34a_100000746373_100000765890 [0,1,0,1,0,0|1,0,1]=4 5647 B15R1.778 CCOC(=O)CCNCC1CCSCC1 2230a_100015188806_100011206558 [0,1,0,1,0,0|1,0,1]=4 5648 B15R1.778 CCOC(=O)CCNCC1CCSCC1 34a_100015188806_100000765890 [0,1,0,1,0,0|1,0,1]=4 5649 B15R1.778 CCOC(=O)CCOCC1CCCCC1 34a_100000212181_100000765890 [0,1,0,1,0,0|0,0,2]=4 5650 B15R1.778 CCOC(=O)CCOCC1CCCCC1 7a_100000212181_100011206558 [0,1,0,1,0,0|0,0,2]=4 5651 B15R1.778 CCOC(=O)CCOCC1CCCCN1 34a_100000210821_100000765890 [0,1,0,1,0,0|1,0,1]=4 5652 B15R1.778 CCOC(=O)CCOCC1CCCCO1 34a_100000211370_100000765890 [0,1,0,1,0,0|1,0,1]=4 5653 B15R1.778 CCOC(=O)CCOCC1CCCCO1 7a_100000211370_100011206558 [0,1,0,1,0,0|1,0,1]=4 5654 B15R1.778 CCOC(=O)CCOCC1CCCNC1 34a_100000211344_100000765890 [0,1,0,1,0,0|1,0,1]=4 5655 B15R1.778 CCOC(=O)CCOCC1CCCOC1 34a_100000741520_100000765890 [0,1,0,1,0,0|1,0,1]=4 5656 B15R1.778 CCOC(=O)CCOCC1CCNCC1 34a_100000738675_100000765890 [0,1,0,1,0,0|1,0,1]=4 5657 B15R1.778 CCOC(=O)CCOCC1CCOCC1 34a_100000749013_100000765890 [0,1,0,1,0,0|1,0,1]=4 5658 B15R1.778 CCOC(=O)CCOCC1CCSCC1 34a_100000070558_100000765890 [0,1,0,1,0,0|1,0,1]=4 5659 B15R1.778 CCOC(=O)CCOCC1CCSCC1 7a_100000070558_100011206558 [0,1,0,1,0,0|1,0,1]=4 5660 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000211423_100000765890 [0,1,0,1,0,0|0,0,2]=4 5661 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000765890_100000211423 [0,1,0,1,0,0|0,0,2]=4 5662 B15R1.778 CCOC(=O)CCSCC1CCCCO1 62a_100000211543_100000765890 [0,1,0,1,0,0|1,0,1]=4 5663 B15R1.778 CCOC(=O)CCSCC1CCCCO1 62a_100000765890_100000211543 [0,1,0,1,0,0|1,0,1]=4 5664 B15R1.778 CCOC(=O)CCSCC1CCCOC1 62a_100000741521_100000765890 [0,1,0,1,0,0|1,0,1]=4 5665 B15R1.778 CCOC(=O)CCSCC1CCCOC1 62a_100000765890_100000741521 [0,1,0,1,0,0|1,0,1]=4 5666 B15R1.778 CCOC(=O)CCSCC1CCOCC1 62a_100000754603_100000765890 [0,1,0,1,0,0|1,0,1]=4 5667 B15R1.778 CCOC(=O)CCSCC1CCOCC1 62a_100000765890_100000749018 [0,1,0,1,0,0|1,0,1]=4 5668 B15R1.778 CCOC(=O)CNCCC1=CCCCC1 2230a_100000212019_100000188475 [0,1,0,1,0,0|0,0,2]=4 5669 B15R1.778 CCOC(=O)CNCCC1=CCCCC1 34a_100000212019_100000188475 [0,1,0,1,0,0|0,0,2]=4 5670 B15R1.778 CCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000188475 [0,1,0,1,0,0|0,0,2]=4 5671 B15R1.778 CCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000188475 [0,1,0,1,0,0|0,0,2]=4 5672 B15R1.778 CCOC(=O)COCCC1CCCCC1 34a_100011217863_100000188475 [0,1,0,1,0,0|0,0,2]=4 5673 B15R1.778 CCOC(=O)COCCC1CCCCC1 7a_100011217863_100000188475 [0,1,0,1,0,0|0,0,2]=4 5674 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100000188475_100012355289 [0,1,0,1,0,0|0,0,2]=4 5675 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000188475 [0,1,0,1,0,0|0,0,2]=4 5676 B15R1.778 CCOC(=O)CSCCN1CCCCC1 62a_100000188475_100000739454 [0,1,0,1,0,0|1,0,1]=4 5677 B15R1.778 CCOC(=O)CSCCN1CCCCC1 62a_100000739454_100000188475 [0,1,0,1,0,0|1,0,1]=4 5678 B15R1.778 CCOC(=O)CSCOC1CCCCC1 62a_100000188475_100011935260 [0,1,0,1,0,0|1,0,1]=4 5679 B15R1.778 CCOC(=O)CSCOC1CCCCC1 62a_100011935260_100000188475 [0,1,0,1,0,0|1,0,1]=4 5680 B15R1.778 CCOC(=O)NCCOC1CCCCC1 34a_100000158857_100000210327 [0,1,0,1,0,0|1,0,1]=4 5681 B15R1.778 CCOC(=O)NCCOC1CCCCC1 7a_100000210231_200011445536 [0,1,0,1,0,0|1,0,1]=4 5682 B15R1.778 CCOC(=O)NCCSC1CCCCC1 62a_100000210327_200011445536 [0,1,0,1,0,0|1,0,1]=4 5683 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 2230a_100000211376_100009991533 [0,1,0,1,0,0|0,0,2]=4 5684 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 269982a_100000211376_100009991533 [0,1,0,1,0,0|0,0,2]=4 5685 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 34a_100000211376_100009991533 [0,1,0,1,0,0|0,0,2]=4 5686 B15R1.1252 CCOC(=O)CCCN1CCOC[C@@H]1C 2230a_100009815349_100009991533 [0,1,0,1,0,0|1,0,1]=4 5687 B15R1.1252 CCOC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100009991533 [0,1,0,1,0,0|1,0,1]=4 5688 B15R1.1252 CCOC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100009991533 [0,1,0,1,0,0|1,0,1]=4 5689 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 2230a_100000211402_100011206558 [0,1,0,1,0,0|0,0,2]=4 5690 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 34a_100000211402_100000765890 [0,1,0,1,0,0|0,0,2]=4 5691 B15R1.1252 CCOC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011206558 [0,1,0,1,0,0|1,0,1]=4 5692 B15R1.1252 CCOC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000765890 [0,1,0,1,0,0|1,0,1]=4 5693 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 34a_100000211207_100000765890 [0,1,0,1,0,0|0,0,2]=4 5694 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 7a_100000211207_100011206558 [0,1,0,1,0,0|0,0,2]=4 5695 B15R1.1252 CCOC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000765890 [0,1,0,1,0,0|1,0,1]=4 5696 B15R1.1252 CCOC(=O)CCOC1CCCCC1Cl 7a_100000038908_100011206558 [0,1,0,1,0,0|1,0,1]=4 5697 B15R1.1252 CCOC(=O)CCOC1CCNCC1C 34a_100011998114_100000765890 [0,1,0,1,0,0|1,0,1]=4 5698 B15R1.1252 CCOC(=O)CCOC1CNCCC1C 34a_100000696640_100000765890 [0,1,0,1,0,0|1,0,1]=4 5699 B15R1.1252 CCOC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000765890 [0,1,0,1,0,0|1,0,1]=4 5700 B15R1.1252 CCOC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011206558 [0,1,0,1,0,0|1,0,1]=4 5701 B15R1.1252 CCOC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000765890 [0,1,0,1,0,0|1,0,1]=4 5702 B15R1.1252 CCOC(=O)CCSC1CCCCC1F 62a_100000765890_100015423560 [0,1,0,1,0,0|1,0,1]=4 5703 B15R1.1252 CCOC(=O)CCSC1CCCCC1F 62a_100015423560_100000765890 [0,1,0,1,0,0|1,0,1]=4 5704 B15R1.1252 CCOC(=O)CCSC1CCCCC1O 62a_100000038908_100000765890 [0,1,0,1,0,0|1,0,1]=4 5705 B15R1.1252 CCOC(=O)CCSC1CCCCC1O 62a_100000765890_100000038908 [0,1,0,1,0,0|1,0,1]=4 5706 B15R1.1252 CCOC(=O)CNCC1=NCCCN1C 2230a_200025751793_100000188475 [0,1,0,1,0,0|2,0,0]=4 5707 B15R1.1252 CCOC(=O)NCCN1CCCCC1C 269982a_100000211376_200011445536 [0,1,0,1,0,0|1,0,1]=4 5708 B15R1.10329 CCOC(=O)CCCN1C(CCC1C)C 2230a_100000687148_100009991533 [0,1,0,1,0,0|1,0,1]=4 5709 B15R1.10329 CCOC(=O)CCCN1C(CCC1C)C 269982a_100000687148_100009991533 [0,1,0,1,0,0|1,0,1]=4 5710 B15R1.10329 CCOC(=O)CCCN1C(CCC1C)C 34a_100000687148_100009991533 [0,1,0,1,0,0|1,0,1]=4 5711 B15R1.10364 CCOC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100011206558 [0,1,0,1,0,0|1,0,1]=4 5712 B15R1.10364 CCOC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100011206558 [0,1,0,1,0,0|1,0,1]=4 5713 B15R1.10422 CCOC(=O)CCCNC(C)C1CCC1 2230a_100016994624_100009991533 [0,1,0,1,0,0|1,0,1]=4 5714 B15R1.10422 CCOC(=O)CCCNC(C)C1CCC1 34a_100016994624_100009991533 [0,1,0,1,0,0|1,0,1]=4 5715 B15R1.10422 CCOC(=O)CCCOC(C)C1CCC1 34a_100000766398_100009991533 [0,1,0,1,0,0|1,0,1]=4 5716 B15R1.10422 CCOC(=O)CCCOC(C)C1CCC1 7a_100000766398_100011215271 [0,1,0,1,0,0|1,0,1]=4 5717 B15R1.16362 CCOC(=O)CCCOC1(CCCC1)C 34a_100000751722_100009991533 [0,1,0,1,0,0|1,0,1]=4 5718 B15R1.16362 CCOC(=O)CCCOC1(CCCC1)C 7a_100000751722_100011215271 [0,1,0,1,0,0|1,0,1]=4 5719 B15R1.16362 CCOC(=O)CCNCC1(CCCC1)O 2230a_100000737848_100011206558 [0,1,0,1,0,0|1,0,1]=4 5720 B15R1.16362 CCOC(=O)CCOCC1(CCCC1)N 34a_100000749328_100000765890 [0,1,0,1,0,0|1,0,1]=4 5721 B15R1.1067 CCCCC1C=CCN1C(=O)C(C)CC 11a_100015184376_100011192722 [0,1,0,1,0,0|2,0,0]=4 5722 B15R1.1067 CCCCC1C=CCN1C(=O)C(C)CC 1626a_100015184376_100011192722 [0,1,0,1,0,0|2,0,0]=4 5723 B15R1.1067 CCCCC1C=CCN1C(=O)C(C)CC 240690a_100015184376_100011192722 [0,1,0,1,0,0|2,0,0]=4 5724 B15R1.1067 CCCCC1C=CCN1C(=O)C(C)CC 527a_100015184376_100011192722 [0,1,0,1,0,0|2,0,0]=4 5725 B15R1.1067 CCCCC1C=CCN1C(=O)C(O)CC 240690a_100015184376_100011196387 [0,1,0,1,0,0|2,0,0]=4 5726 B15R1.9714 CCCCC/C=C/CCC(=O)C1CCC1 1458a_200015255902_100000749161 [0,1,0,1,0,0|1,0,0]=3 5727 B15R1.9714 CCCCC/C=C/CCC(=O)C1COC1 1458a_200015255902_100000687716 [0,1,0,1,0,0|1,0,0]=3 5728 B15R1.9714 CCCCC/C=C/CCC(=O)N1CCC1 11a_100000754969_200015255902 [0,1,0,1,0,0|1,0,0]=3 5729 B15R1.9714 CCCCC/C=C/CCC(=O)N1CCC1 240690a_100000754969_200015255902 [0,1,0,1,0,0|1,0,0]=3 5730 B15R1.9714 CCCCC/C=C/CCC(=O)N1CCC1 527a_100000754969_200015255902 [0,1,0,1,0,0|1,0,0]=3 5731 B15R1.9714 CCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210670 [0,1,0,1,0,0|0,0,2]=4 5732 B15R1.31 CCCCC=CC(=O)N1CCOC(=O)C1 11a_100000131268_100016266645 [0,1,0,1,0,0|1,0,1]=4 5733 B15R1.31 CCCCC=CC(=O)N1CCOC(=O)C1 240690a_100000131268_100016266645 [0,1,0,1,0,0|1,0,1]=4 5734 B15R1.31 CCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210757 [0,1,0,1,0,0|1,0,1]=4 5735 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 5736 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 5737 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 5738 B15R1.31 CCCCCNC(=O)C1CCNC(=O)C1 11a_100000209983_100000132800 [0,1,0,1,0,0|2,0,0]=4 5739 B15R1.31 CCCCCNC(=O)C1CCNC(=O)C1 1626a_100000209983_100000132800 [0,1,0,1,0,0|2,0,0]=4 5740 B15R1.31 CCCCCNC(=O)C1CCNC(=O)C1 240690a_100000209983_100000132800 [0,1,0,1,0,0|2,0,0]=4 5741 B15R1.31 CCCCCNC(=O)C1CCNC(=O)C1 527a_100000209983_100000132800 [0,1,0,1,0,0|2,0,0]=4 5742 B15R1.31 CCCCCNC(=O)N1CCOC(=O)C1 2708a_100000209983_100000131268 [0,1,0,1,0,0|2,0,0]=4 5743 B15R1.89 CCCC(=O)CCC(=O)N1CCCCC1 1458a_100000211992_100102558178 [0,1,0,1,0,0|2,0,0]=4 5744 B15R1.89 CCCC(=O)CCC(=O)N1CCCCC1 1458a_200000243808_100000210303 [0,1,0,1,0,0|2,0,0]=4 5745 B15R1.89 CCNC(=O)CCC(=O)C1CCCCC1 1458a_100000199579_100000210327 [0,1,0,1,0,0|1,0,1]=4 5746 B15R1.89 CCNC(=O)CCC(=O)N1CCCCC1 11a_100015525214_200000243808 [0,1,0,1,0,0|2,0,0]=4 5747 B15R1.89 CCNC(=O)CCC(=O)N1CCCCC1 240690a_100015525214_200000243808 [0,1,0,1,0,0|2,0,0]=4 5748 B15R1.89 CCNC(=O)CCC(=O)N1CCCCC1 527a_100015525214_200000243808 [0,1,0,1,0,0|2,0,0]=4 5749 B15R1.89 CCOC(=O)CCC(=O)C1CCCCC1 1458a_100000183558_100000210327 [0,1,0,1,0,0|0,0,1]=3 5750 B15R1.89 CCOC(=O)CCC(=O)C1CCCOC1 1458a_100000183558_100000693364 [0,1,0,1,0,0|1,0,1]=4 5751 B15R1.89 CCOC(=O)CCC(=O)C1CCOCC1 1458a_100000183558_100011324220 [0,1,0,1,0,0|1,0,1]=4 5752 B15R1.89 CCOC(=O)CCC(=O)N1CCCOC1 11a_100000131196_100000183558 [0,1,0,1,0,0|2,0,0]=4 5753 B15R1.89 CCOC(=O)CCC(=O)N1CCCOC1 240690a_100000131196_100000183558 [0,1,0,1,0,0|2,0,0]=4 5754 B15R1.89 CCOC(=O)CCC(=O)N1CCOCC1 11a_100015191051_100000183558 [0,1,0,1,0,0|2,0,0]=4 5755 B15R1.89 CCOC(=O)CCC(=O)N1CCOCC1 1626a_100015191051_100000183558 [0,1,0,1,0,0|2,0,0]=4 5756 B15R1.89 CCOC(=O)CCC(=O)N1CCOCC1 240690a_100015191051_100000183558 [0,1,0,1,0,0|2,0,0]=4 5757 B15R1.89 CCOC(=O)CCC(=O)N1CCSCC1 11a_100000737611_100000183558 [0,1,0,1,0,0|2,0,0]=4 5758 B15R1.89 CCOC(=O)CCC(=O)N1CCSCC1 240690a_100000737611_100000183558 [0,1,0,1,0,0|2,0,0]=4 5759 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 2230a_100000207522_100011206558 [0,1,0,1,0,0|1,0,1]=4 5760 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100011206558 [0,1,0,1,0,0|1,0,1]=4 5761 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 269982a_100000745921_100000210327 [0,1,0,1,0,0|1,0,1]=4 5762 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 34a_100000207522_100000765890 [0,1,0,1,0,0|1,0,1]=4 5763 B15R1.89 CCOC(=O)CNC(=O)C1=CCCCC1 188690a_100000741813_100000765259 [0,1,0,1,0,0|1,0,1]=4 5764 B15R1.89 CCOC(=O)CNC(=O)C1CCCCC1 188690a_100000741813_100000210647 [0,1,0,1,0,0|1,0,1]=4 5765 B15R1.89 CCOC(=O)NCC(=O)C1CCCCC1 1458a_100000190774_100000210327 [0,1,0,1,0,0|1,0,1]=4 5766 B15R1.796 CCCC(=O)CCC(=O)NC1CCCC1 1458a_100000199707_100000210303 [0,1,0,1,0,0|2,0,0]=4 5767 B15R1.796 CCCC(=O)CCC(=O)NC1CCCC1 1458a_100000211992_100000743710 [0,1,0,1,0,0|2,0,0]=4 5768 B15R1.796 CCNC(=O)CCC(=O)CC1CCCC1 1458a_100000199579_100000740388 [0,1,0,1,0,0|1,0,1]=4 5769 B15R1.796 CCNC(=O)CCC(=O)NC1CCCC1 11a_100000211070_100000199579 [0,1,0,1,0,0|2,0,0]=4 5770 B15R1.796 CCNC(=O)CCC(=O)NC1CCCC1 11a_100015525214_100000199707 [0,1,0,1,0,0|2,0,0]=4 5771 B15R1.796 CCNC(=O)CCC(=O)NC1CCCC1 1626a_100000211070_100000199579 [0,1,0,1,0,0|2,0,0]=4 5772 B15R1.796 CCNC(=O)CCC(=O)NC1CCCC1 240690a_100000211070_100000199579 [0,1,0,1,0,0|2,0,0]=4 5773 B15R1.796 CCNC(=O)CCC(=O)NC1CCCC1 240690a_100015525214_100000199707 [0,1,0,1,0,0|2,0,0]=4 5774 B15R1.796 CCNC(=O)CCC(=O)NC1CCCC1 527a_100015525214_100000199707 [0,1,0,1,0,0|2,0,0]=4 5775 B15R1.796 CCOC(=O)CCC(=O)CC1CCCC1 1458a_100000183558_100000740388 [0,1,0,1,0,0|0,0,1]=3 5776 B15R1.796 CCOC(=O)CCC(=O)CC1CCCO1 1458a_100000183558_100000203698 [0,1,0,1,0,0|1,0,1]=4 5777 B15R1.796 CCOC(=O)CCC(=O)CC1CCOC1 1458a_100000183558_100000702531 [0,1,0,1,0,0|1,0,1]=4 5778 B15R1.796 CCOC(=O)CCC(=O)NC1CCCC1 11a_100000211070_100000183558 [0,1,0,1,0,0|1,0,0]=3 5779 B15R1.796 CCOC(=O)CCC(=O)NC1CCCC1 1626a_100000211070_100000183558 [0,1,0,1,0,0|1,0,0]=3 5780 B15R1.796 CCOC(=O)CCC(=O)NC1CCCC1 240690a_100000211070_100000183558 [0,1,0,1,0,0|1,0,0]=3 5781 B15R1.796 CCOC(=O)CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000183558 [0,1,0,1,0,0|2,0,0]=4 5782 B15R1.796 CCOC(=O)CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000183558 [0,1,0,1,0,0|2,0,0]=4 5783 B15R1.796 CCOC(=O)CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000183558 [0,1,0,1,0,0|2,0,0]=4 5784 B15R1.796 CCOC(=O)CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000183558 [0,1,0,1,0,0|2,0,0]=4 5785 B15R1.796 CCOC(=O)CCC(C)NC1CCCC1 2230a_100000211070_100000748298 [0,1,0,1,0,0|1,0,1]=4 5786 B15R1.796 CCOC(=O)CCC(C)NC1CCCC1 34a_100000211070_100000748298 [0,1,0,1,0,0|1,0,1]=4 5787 B15R1.796 CCOC(=O)CCC(C)OC1CCCC1 34a_100000210269_100000748298 [0,1,0,1,0,0|1,0,1]=4 5788 B15R1.796 CCOC(=O)CCC(C)OC1CCCC1 7a_100000210269_100000748298 [0,1,0,1,0,0|1,0,1]=4 5789 B15R1.796 CCOC(=O)CCC(C)SC1CCCC1 62a_100000748298_100000179811 [0,1,0,1,0,0|1,0,1]=4 5790 B15R1.796 CCOC(=O)CCC(C)SC1CCCC1 62a_100011217020_100000748298 [0,1,0,1,0,0|1,0,1]=4 5791 B15R1.796 CCOC(=O)CCN(C)CC1CCCC1 2230a_100000745921_100000740388 [0,1,0,1,0,0|1,0,1]=4 5792 B15R1.796 CCOC(=O)CCN(C)CC1CCCC1 269982a_100000745921_100000740388 [0,1,0,1,0,0|1,0,1]=4 5793 B15R1.796 CCOC(=O)CNC(=O)C=C1CCCC1 188690a_100000741813_100000743260 [0,1,0,1,0,0|1,0,1]=4 5794 B15R1.796 CCOC(=O)CNC(=O)CC1CCCC1 188690a_100000741813_100000210891 [0,1,0,1,0,0|1,0,1]=4 5795 B15R1.796 CCOC(=O)NCC(=O)CC1CCCC1 1458a_100000190774_100000740388 [0,1,0,1,0,0|1,0,1]=4 5796 B15R1.796 CCOC(=O)NCC(=O)NC1CCCC1 11a_100000211070_100000190774 [0,1,0,1,0,0|2,0,0]=4 5797 B15R1.796 CCOC(=O)NCC(=O)NC1CCCC1 1626a_100000211070_100000190774 [0,1,0,1,0,0|2,0,0]=4 5798 B15R1.796 CCOC(=O)NCC(=O)NC1CCCC1 240690a_100000211070_100000190774 [0,1,0,1,0,0|2,0,0]=4 5799 B15R1.796 CCOC(=O)NCC(=O)NC1CCCC1 527a_100000211070_100000190774 [0,1,0,1,0,0|2,0,0]=4 5800 B15R1.2560 CCOC(=O)CC1C(=O)NCCN1CC 2230a_100000013613_100000210202 [0,1,0,1,0,0|2,0,0]=4 5801 B15R1.3974 CCCCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210757 [0,1,0,1,0,0|1,0,1]=4 5802 B15R1.3974 CCCCCNC(=O)CN1CCOC1=O 11a_100000209983_100011227918 [0,1,0,1,0,0|2,0,0]=4 5803 B15R1.3974 CCCCCNC(=O)CN1CCOC1=O 1626a_100000209983_100011227918 [0,1,0,1,0,0|2,0,0]=4 5804 B15R1.3974 CCCCCNC(=O)CN1CCOC1=O 240690a_100000209983_100011227918 [0,1,0,1,0,0|2,0,0]=4 5805 B15R1.3974 CCCCCNC(=O)CN1CCOC1=O 527a_100000209983_100011227918 [0,1,0,1,0,0|2,0,0]=4 5806 B15R1.4574 CCNC(=O)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000199579 [0,1,0,1,0,0|2,0,0]=4 5807 B15R1.4574 CCNC(=O)CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000199579 [0,1,0,1,0,0|2,0,0]=4 5808 B15R1.4574 CCNC(=O)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000199579 [0,1,0,1,0,0|2,0,0]=4 5809 B15R1.4574 CCOC(=O)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000183558 [0,1,0,1,0,0|1,0,0]=3 5810 B15R1.4574 CCOC(=O)CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000183558 [0,1,0,1,0,0|1,0,0]=3 5811 B15R1.4574 CCOC(=O)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000183558 [0,1,0,1,0,0|1,0,0]=3 5812 B15R1.4574 CCOC(=O)CCC(=O)N1CCSC1C 11a_200011216479_100000183558 [0,1,0,1,0,0|2,0,0]=4 5813 B15R1.4574 CCOC(=O)CCC(=O)N1CCSC1C 1626a_200011216479_100000183558 [0,1,0,1,0,0|2,0,0]=4 5814 B15R1.4574 CCOC(=O)CCC(=O)N1CCSC1C 240690a_200011216479_100000183558 [0,1,0,1,0,0|2,0,0]=4 5815 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000748298 [0,1,0,1,0,0|1,0,1]=4 5816 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000748298 [0,1,0,1,0,0|1,0,1]=4 5817 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000748298 [0,1,0,1,0,0|1,0,1]=4 5818 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000748298 [0,1,0,1,0,0|1,0,1]=4 5819 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@H]1C 34a_100015189458_100000748298 [0,1,0,1,0,0|1,0,1]=4 5820 B15R1.4574 CCOC(=O)CNC(=O)C1CCCC1C 188690a_100000741813_100000690547 [0,1,0,1,0,0|1,0,1]=4 5821 B15R1.4574 CCOC(=O)NCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000190774 [0,1,0,1,0,0|2,0,0]=4 5822 B15R1.4574 CCOC(=O)NCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000190774 [0,1,0,1,0,0|2,0,0]=4 5823 B15R1.4574 CCOC(=O)NCC(=O)N1CCC[C@H]1C 11a_100015189458_100000190774 [0,1,0,1,0,0|2,0,0]=4 5824 B15R1.4574 CCOC(=O)NCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000190774 [0,1,0,1,0,0|2,0,0]=4 5825 B15R1.4574 CCOC(=O)NCC(=O)N1CCC[C@H]1C 527a_100015189458_100000190774 [0,1,0,1,0,0|2,0,0]=4 5826 B15R1.10366 C=COC(=O)COC1C=CCCCCC1 34a_100000688657_100000036128 [0,1,0,1,0,0|0,0,2]=4 5827 B15R1.10366 CCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183381 [0,1,0,1,0,0|1,0,0]=3 5828 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 2230a_100000211400_100011206558 [0,1,0,1,0,0|0,0,2]=4 5829 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 269982a_100000211400_100011206558 [0,1,0,1,0,0|0,0,2]=4 5830 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 34a_100000211400_100000765890 [0,1,0,1,0,0|0,0,2]=4 5831 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000188475 [0,1,0,1,0,0|0,0,2]=4 5832 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000188475 [0,1,0,1,0,0|0,0,2]=4 5833 B15R1.10366 CCOC(=O)COC1C=CCCCCC1 34a_100000688657_100000188475 [0,1,0,1,0,0|0,0,0]=2 5834 B15R1.10366 CCOC(=O)COC1CCCCCCC1 34a_100000210054_100000188475 [0,1,0,1,0,0|0,0,2]=4 5835 B15R1.10366 CCOC(=O)COC1CCCCCCC1 7a_100000210054_100000188475 [0,1,0,1,0,0|0,0,2]=4 5836 B15R1.10366 O=C(COC1C=CCCCCC1)NCO 34a_100000688657_100000185155 [0,1,0,1,0,0|2,0,0]=4 5837 B15R1.10467 CCOC(=O)CCC(C)OCC1CC1C 34a_100000744939_100000748298 [0,1,0,1,0,0|1,0,1]=4 5838 B15R1.10467 CCOC(=O)CCC(C)OCC1CC1C 7a_100000744939_100000748298 [0,1,0,1,0,0|1,0,1]=4 5839 B15R1.10468 CCNC(=O)CCC(=O)NCC1CCC1 11a_100000738700_100000199579 [0,1,0,1,0,0|2,0,0]=4 5840 B15R1.10468 CCNC(=O)CCC(=O)NCC1CCC1 1626a_100000738700_100000199579 [0,1,0,1,0,0|2,0,0]=4 5841 B15R1.10468 CCNC(=O)CCC(=O)NCC1CCC1 240690a_100000738700_100000199579 [0,1,0,1,0,0|2,0,0]=4 5842 B15R1.10468 CCOC(=O)CCC(=NNC1CCC1)C 4a_100000736358_100011212338 [0,1,0,1,0,0|2,0,0]=4 5843 B15R1.10468 CCOC(=O)CCC(=O)NCC1CCC1 11a_100000738700_100000183558 [0,1,0,1,0,0|1,0,0]=3 5844 B15R1.10468 CCOC(=O)CCC(=O)NCC1CCC1 1626a_100000738700_100000183558 [0,1,0,1,0,0|1,0,0]=3 5845 B15R1.10468 CCOC(=O)CCC(=O)NCC1CCC1 240690a_100000738700_100000183558 [0,1,0,1,0,0|1,0,0]=3 5846 B15R1.10468 CCOC(=O)CCC(=O)NCC1COC1 11a_100015281925_100000183558 [0,1,0,1,0,0|2,0,0]=4 5847 B15R1.10468 CCOC(=O)CCC(=O)NCC1COC1 1626a_100015281925_100000183558 [0,1,0,1,0,0|2,0,0]=4 5848 B15R1.10468 CCOC(=O)CCC(=O)NCC1COC1 240690a_100015281925_100000183558 [0,1,0,1,0,0|2,0,0]=4 5849 B15R1.10468 CCOC(=O)CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000183558 [0,1,0,1,0,0|2,0,0]=4 5850 B15R1.10468 CCOC(=O)CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000183558 [0,1,0,1,0,0|2,0,0]=4 5851 B15R1.10468 CCOC(=O)CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000183558 [0,1,0,1,0,0|2,0,0]=4 5852 B15R1.10468 CCOC(=O)CCC(C)NCC1CCC1 2230a_100000738700_100000748298 [0,1,0,1,0,0|1,0,1]=4 5853 B15R1.10468 CCOC(=O)CCC(C)NCC1CCC1 34a_100000738700_100000748298 [0,1,0,1,0,0|1,0,1]=4 5854 B15R1.10468 CCOC(=O)CCC(C)OCC1CCC1 34a_100000760304_100000748298 [0,1,0,1,0,0|1,0,1]=4 5855 B15R1.10468 CCOC(=O)CCC(C)SCC1CCC1 62a_100000748298_100000763275 [0,1,0,1,0,0|1,0,1]=4 5856 B15R1.10468 CCOC(=O)CCC(C)SCC1CCC1 62a_100000763275_100000748298 [0,1,0,1,0,0|1,0,1]=4 5857 B15R1.10468 CCOC(=O)NCC(=O)NCC1CCC1 11a_100000738700_100000190774 [0,1,0,1,0,0|2,0,0]=4 5858 B15R1.10468 CCOC(=O)NCC(=O)NCC1CCC1 1626a_100000738700_100000190774 [0,1,0,1,0,0|2,0,0]=4 5859 B15R1.10468 CCOC(=O)NCC(=O)NCC1CCC1 240690a_100000738700_100000190774 [0,1,0,1,0,0|2,0,0]=4 5860 B15R1.10468 CCOC(=O)NCC(=O)NCC1CCC1 527a_100000738700_100000190774 [0,1,0,1,0,0|2,0,0]=4 5861 B15R1.10469 CCNC(=O)CCC(=O)NCCC1CC1 1626a_100000764129_100000199579 [0,1,0,1,0,0|2,0,0]=4 5862 B15R1.10469 CCNC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100000199579 [0,1,0,1,0,0|2,0,0]=4 5863 B15R1.10469 CCOC(=O)CCC(=NNCC1CC1)C 4a_100000736359_100011212338 [0,1,0,1,0,0|2,0,0]=4 5864 B15R1.10469 CCOC(=O)CCC(=O)CCCC1CO1 1458a_100000183558_100000733510 [0,1,0,1,0,0|1,0,1]=4 5865 B15R1.10469 CCOC(=O)CCC(=O)NCCC1CC1 1626a_100000764129_100000183558 [0,1,0,1,0,0|1,0,0]=3 5866 B15R1.10469 CCOC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100000183558 [0,1,0,1,0,0|1,0,0]=3 5867 B15R1.10469 CCOC(=O)CCC(C)NCCC1CC1 34a_100000764129_100000748298 [0,1,0,1,0,0|1,0,1]=4 5868 B15R1.10469 CCOC(=O)CCC(C)OCCC1CC1 34a_100000754188_100000748298 [0,1,0,1,0,0|1,0,1]=4 5869 B15R1.10469 CCOC(=O)CCC(C)OCCC1CC1 7a_100000754188_100000748298 [0,1,0,1,0,0|1,0,1]=4 5870 B15R1.10469 CCOC(=O)CCC(C)SCCC1CC1 62a_100000748298_100000764125 [0,1,0,1,0,0|1,0,1]=4 5871 B15R1.10469 CCOC(=O)CCC(C)SCCC1CC1 62a_100000764125_100000748298 [0,1,0,1,0,0|1,0,1]=4 5872 B15R1.10469 CCOC(=O)NCC(=O)NCCC1CC1 1626a_100000764129_100000190774 [0,1,0,1,0,0|2,0,0]=4 5873 B15R1.10469 CCOC(=O)NCC(=O)NCCC1CC1 240690a_100000764129_100000190774 [0,1,0,1,0,0|2,0,0]=4 5874 B15R1.10469 CCOC(=O)NCC(=O)NCCC1CC1 527a_100000764129_100000190774 [0,1,0,1,0,0|2,0,0]=4 5875 B15R1.94 CCC1CCCN1CCC(=O)OC(C)C 2230a_100000754278_100000760027 [0,1,0,1,0,0|1,0,1]=4 5876 B15R1.94 CCC1CCCN1CCC(=O)OC(C)C 269982a_100000754278_100000760027 [0,1,0,1,0,0|1,0,1]=4 5877 B15R1.130 CC(C)OC(=O)CCN1CCCCC1C 2230a_100000211376_100000760027 [0,1,0,1,0,0|1,0,1]=4 5878 B15R1.130 CC(C)OC(=O)CCN1CCCCC1C 269982a_100000211376_100000760027 [0,1,0,1,0,0|1,0,1]=4 5879 B15R1.254 CC(C)OC(=O)CCOC1CCCC1C 7a_100011216460_100000760027 [0,1,0,1,0,0|1,0,1]=4 5880 B15R1.829 CCCCC1C=CCN1C(=O)CC(C)C 11a_100015184376_100000210554 [0,1,0,1,0,0|2,0,0]=4 5881 B15R1.829 CCCCC1C=CCN1C(=O)CC(C)C 1626a_100015184376_100000210554 [0,1,0,1,0,0|2,0,0]=4 5882 B15R1.829 CCCCC1C=CCN1C(=O)CC(C)C 240690a_100015184376_100000210554 [0,1,0,1,0,0|2,0,0]=4 5883 B15R1.829 CCCCC1C=CCN1C(=O)CC(C)C 527a_100015184376_100000210554 [0,1,0,1,0,0|2,0,0]=4 5884 B15R1.829 CCCCC1C=CCN1C(=O)C[C@@H](C)O 240690a_100015184376_100011933948 [0,1,0,1,0,0|2,0,0]=4 5885 B15R1.829 CCCCC1C=CCN1C(=O)NC(C)C 2708a_100138425928_100015184376 [0,1,0,1,0,0|2,0,0]=4 5886 B15R1.829 CCCCC1C=CCN1C(=O)NC(C)C 273464a_100138425928_100015184376 [0,1,0,1,0,0|2,0,0]=4 5887 B15R1.5503 CC(C)OC(=O)CCNCC1CCCC1 2230a_100000737975_100000760027 [0,1,0,1,0,0|1,0,1]=4 5888 B15R1.5503 CC(C)OC(=O)CCOCC1CCCC1 7a_100000742336_100000760027 [0,1,0,1,0,0|1,0,1]=4 5889 B15R1.5503 CC(C)OC(=O)CCSCC1CCCC1 62a_100000740388_100000760027 [0,1,0,1,0,0|1,0,1]=4 5890 B15R1.5503 CC(C)OC(=O)CCSCC1CCCC1 62a_100000760027_100000740388 [0,1,0,1,0,0|1,0,1]=4 5891 B15R1.9084 CC(C)OC(=O)CCNC1CCCCC1 2230a_100000182618_100000760027 [0,1,0,1,0,0|1,0,1]=4 5892 B15R1.9084 CC(C)OC(=O)CCOC1CCCCC1 7a_100000210231_100000760027 [0,1,0,1,0,0|1,0,1]=4 5893 B15R1.9084 CC(C)OC(=O)CCSC1CCCCC1 62a_100000210327_100000760027 [0,1,0,1,0,0|1,0,1]=4 5894 B15R1.9084 CC(C)OC(=O)CCSC1CCCCC1 62a_100000760027_100000210327 [0,1,0,1,0,0|1,0,1]=4 5895 B15R1.9716 CCCCC/C=C/CCC(=O)CC1CC1 1458a_200015255902_100000742324 [0,1,0,1,0,0|1,0,0]=3 5896 B15R1.9716 CCCCC/C=C/CCC(=O)CC1CO1 1458a_200015255902_100011216344 [0,1,0,1,0,0|1,0,0]=3 5897 B15R1.9716 CCCCC/C=C/CCC(=O)CC1CS1 1458a_200015255902_100000031435 [0,1,0,1,0,0|1,0,0]=3 5898 B15R1.9716 CCCCC/C=C/CCC(=O)C[C@@H]1CO1 1458a_200015255902_100000745022 [0,1,0,1,0,0|1,0,0]=3 5899 B15R1.9716 CCCCC/C=C/CCC(=O)NC1CC1 1626a_100000212008_200015255902 [0,1,0,1,0,0|1,0,0]=3 5900 B15R1.9716 CCCCC/C=C/CCC(=O)NC1CC1 240690a_100000212008_200015255902 [0,1,0,1,0,0|1,0,0]=3 5901 B15R1.9716 CCCCC/C=C/CCC(=O)NC1CC1 527a_100000212008_200015255902 [0,1,0,1,0,0|1,0,0]=3 5902 B15R1.22532 CC(C)OC(=O)CCN1CCCCCC1 2230a_100000185865_100000760027 [0,1,0,1,0,0|1,0,1]=4 5903 B15R1.22532 CC(C)OC(=O)CCN1CCCCCC1 269982a_100000185865_100000760027 [0,1,0,1,0,0|1,0,1]=4 5904 B15R1.106 CCCCCC#CCN1CCOC(=O)C1 2230a_100000131268_100009816472 [0,1,0,1,0,0|0,0,2]=4 5905 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|0,0,2]=4 5906 B15R1.528 CCCCC/C=C/COCC1=NCCN1 34a_100016258190_100000737910 [0,1,0,1,0,0|2,0,0]=4 5907 B15R1.528 CCCCC/C=C/COCC1=NCCN1 7a_100016258190_100000737910 [0,1,0,1,0,0|2,0,0]=4 5908 B15R1.528 CCCCC/C=C/COCC1CCCO1 7a_100016258190_100000203698 [0,1,0,1,0,0|1,0,1]=4 5909 B15R1.528 CCCCC/C=C/COCC1OCCO1 34a_100016258190_100000755774 [0,1,0,1,0,0|0,0,2]=4 5910 B15R1.528 CCCCC/C=C/COCC1OCCO1 7a_100016258190_100000755774 [0,1,0,1,0,0|0,0,2]=4 5911 B15R1.603 CCOC(=O)CCN1CCC[C@H]1COC 2230a_100020646714_100011206558 [0,1,0,1,0,0|1,0,1]=4 5912 B15R1.603 CCOC(=O)CCN1CCC[C@H]1COC 269982a_100020646714_100011206558 [0,1,0,1,0,0|1,0,1]=4 5913 B15R1.603 CCOC(=O)CCN1CCC[C@H]1COC 34a_100020646714_100000765890 [0,1,0,1,0,0|1,0,1]=4 5914 B15R1.768 CCOC(=O)CCN1CCCCC1CC 2230a_100000210034_100011206558 [0,1,0,1,0,0|0,0,2]=4 5915 B15R1.768 CCOC(=O)CCN1CCCCC1CC 269982a_100000210034_100011206558 [0,1,0,1,0,0|0,0,2]=4 5916 B15R1.768 CCOC(=O)CCN1CCCCC1CC 34a_100000210034_100000765890 [0,1,0,1,0,0|0,0,2]=4 5917 B15R1.768 CCOC(=O)CCN1CCCCC1CO 2230a_100000210821_100011206558 [0,1,0,1,0,0|1,0,1]=4 5918 B15R1.768 CCOC(=O)CCN1CCCCC1CO 269982a_100000210821_100011206558 [0,1,0,1,0,0|1,0,1]=4 5919 B15R1.768 CCOC(=O)CCN1CCCCC1CO 34a_100000210821_100000765890 [0,1,0,1,0,0|1,0,1]=4 5920 B15R1.768 CCOC(=O)CCN1CCOC[C@@H]1CC 2230a_100016988097_100011206558 [0,1,0,1,0,0|1,0,1]=4 5921 B15R1.768 CCOC(=O)CCN1CCOC[C@@H]1CC 269982a_100016988097_100011206558 [0,1,0,1,0,0|1,0,1]=4 5922 B15R1.768 CCOC(=O)CCN1CCOC[C@@H]1CC 34a_100016988097_100000765890 [0,1,0,1,0,0|1,0,1]=4 5923 B15R1.768 CCOC(=O)COC1CCCCC1CC 34a_100000210738_100000188475 [0,1,0,1,0,0|0,0,2]=4 5924 B15R1.768 CCOC(=O)COC1CCCCC1CC 7a_100000210738_100000188475 [0,1,0,1,0,0|0,0,2]=4 5925 B15R1.804 CCOC(=O)CCCN1CCCC1CC 2230a_100000754278_100009991533 [0,1,0,1,0,0|0,0,2]=4 5926 B15R1.804 CCOC(=O)CCCN1CCCC1CC 269982a_100000754278_100009991533 [0,1,0,1,0,0|0,0,2]=4 5927 B15R1.804 CCOC(=O)CCCN1CCCC1CC 34a_100000754278_100009991533 [0,1,0,1,0,0|0,0,2]=4 5928 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1CO 2230a_100000745186_100009991533 [0,1,0,1,0,0|1,0,1]=4 5929 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100009991533 [0,1,0,1,0,0|1,0,1]=4 5930 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100009991533 [0,1,0,1,0,0|1,0,1]=4 5931 B15R1.804 CCOC(=O)NCCN1CCCC1CC 269982a_100000754278_200011445536 [0,1,0,1,0,0|1,0,1]=4 5932 B15R1.843 CCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210211 [0,1,0,1,0,0|0,0,2]=4 5933 B15R1.843 CCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210211 [0,1,0,1,0,0|0,0,2]=4 5934 B15R1.843 CCCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210211 [0,1,0,1,0,0|1,0,1]=4 5935 B15R1.843 CCCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210211 [0,1,0,1,0,0|1,0,1]=4 5936 B15R1.843 CCCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210211 [0,1,0,1,0,0|1,0,1]=4 5937 B15R1.843 CCCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210211 [0,1,0,1,0,0|1,0,1]=4 5938 B15R1.843 CCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210303 [0,1,0,1,0,0|0,0,2]=4 5939 B15R1.854 C=COC(=O)CN1CC=CC1CCCC 2230a_100015184376_100000036128 [0,1,0,1,0,0|0,0,2]=4 5940 B15R1.854 C=COC(=O)CN1CC=CC1CCCC 269982a_100015184376_100000036128 [0,1,0,1,0,0|0,0,2]=4 5941 B15R1.854 C=COC(=O)CN1CC=CC1CCCC 34a_100015184376_100000036128 [0,1,0,1,0,0|0,0,2]=4 5942 B15R1.854 CCCCC1C=CCN1CC(=O)CCC 2230a_100015184376_100000747444 [0,1,0,1,0,0|1,0,0]=3 5943 B15R1.854 CCCCC1C=CCN1CC(=O)CCC 269982a_100015184376_100000747444 [0,1,0,1,0,0|1,0,0]=3 5944 B15R1.854 CCCCC1C=CCN1CC(=O)NCC 2230a_100015184376_100000183381 [0,1,0,1,0,0|1,0,0]=3 5945 B15R1.854 CCCCC1C=CCN1CC(=O)NCC 269982a_100015184376_100000183381 [0,1,0,1,0,0|1,0,0]=3 5946 B15R1.854 CCCCC1C=CCN1CC(=O)NCC 34a_100015184376_100000183381 [0,1,0,1,0,0|1,0,0]=3 5947 B15R1.854 CCCCC1C=CCN1CC(=O)NCO 2230a_100015184376_100000185155 [0,1,0,1,0,0|2,0,0]=4 5948 B15R1.854 CCCCC1C=CCN1CC(=O)NCO 269982a_100015184376_100000185155 [0,1,0,1,0,0|2,0,0]=4 5949 B15R1.854 CCCCC1C=CCN1CC(=O)NCO 34a_100015184376_100000185155 [0,1,0,1,0,0|2,0,0]=4 5950 B15R1.854 CCCCC1C=CCN1CC(=O)OCC 2230a_100015184376_100000188475 [0,1,0,1,0,0|0,0,0]=2 5951 B15R1.854 CCCCC1C=CCN1CC(=O)OCC 269982a_100015184376_100000188475 [0,1,0,1,0,0|0,0,0]=2 5952 B15R1.854 CCCCC1C=CCN1CC(=O)OCC 34a_100015184376_100000188475 [0,1,0,1,0,0|0,0,0]=2 5953 B15R1.1251 CCCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210303 [0,1,0,1,0,0|2,0,0]=4 5954 B15R1.1251 CCNC(=O)CCN1CCCCCC1=O 11a_100015525214_200011207554 [0,1,0,1,0,0|2,0,0]=4 5955 B15R1.1251 CCNC(=O)CCN1CCCCCC1=O 240690a_100015525214_200011207554 [0,1,0,1,0,0|2,0,0]=4 5956 B15R1.1251 CCNC(=O)CCN1CCCCCC1=O 527a_100015525214_200011207554 [0,1,0,1,0,0|2,0,0]=4 5957 B15R1.1251 CCOC(=O)CSC1CCCCCC1=O 62a_100000188475_100000243696 [0,1,0,1,0,0|1,0,1]=4 5958 B15R1.1251 CCOC(=O)CSC1CCCCCC1=O 62a_100000243696_100000188475 [0,1,0,1,0,0|1,0,1]=4 5959 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 2230a_100000185865_100009991533 [0,1,0,1,0,0|0,0,2]=4 5960 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 269982a_100000185865_100009991533 [0,1,0,1,0,0|0,0,2]=4 5961 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 34a_100000185865_100009991533 [0,1,0,1,0,0|0,0,2]=4 5962 B15R1.2461 CCOC(=O)CCCN1CCCOCC1 2230a_100000685342_100009991533 [0,1,0,1,0,0|1,0,1]=4 5963 B15R1.2461 CCOC(=O)CCCN1CCCOCC1 269982a_100000685342_100009991533 [0,1,0,1,0,0|1,0,1]=4 5964 B15R1.2461 CCOC(=O)CCCN1CCCOCC1 34a_100000685342_100009991533 [0,1,0,1,0,0|1,0,1]=4 5965 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 2230a_100000210984_100011206558 [0,1,0,1,0,0|0,0,2]=4 5966 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 34a_100000210984_100000765890 [0,1,0,1,0,0|0,0,2]=4 5967 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 34a_100000210887_100000765890 [0,1,0,1,0,0|0,0,2]=4 5968 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 7a_100000210887_100011206558 [0,1,0,1,0,0|0,0,2]=4 5969 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100000765890_100011217769 [0,1,0,1,0,0|0,0,2]=4 5970 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100011217769_100000765890 [0,1,0,1,0,0|0,0,2]=4 5971 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000188475 [0,1,0,1,0,0|0,0,2]=4 5972 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000188475 [0,1,0,1,0,0|0,0,2]=4 5973 B15R1.2461 CCOC(=O)COCC1CCCCCC1 34a_100000699130_100000188475 [0,1,0,1,0,0|0,0,2]=4 5974 B15R1.2461 CCOC(=O)COCC1CCCCCC1 7a_100000699130_100000188475 [0,1,0,1,0,0|0,0,2]=4 5975 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_100000188475_200000696569 [0,1,0,1,0,0|0,0,2]=4 5976 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000188475 [0,1,0,1,0,0|0,0,2]=4 5977 B15R1.2461 CCOC(=O)NCCN1CCCCCC1 269982a_100000185865_200011445536 [0,1,0,1,0,0|1,0,1]=4 5978 B15R1.3870 CCOC(=O)CCCN1CCC1COC 2230a_100015195929_100009991533 [0,1,0,1,0,0|1,0,1]=4 5979 B15R1.3870 CCOC(=O)CCCN1CCC1COC 269982a_100015195929_100009991533 [0,1,0,1,0,0|1,0,1]=4 5980 B15R1.3870 CCOC(=O)CCCN1CCC1COC 34a_100015195929_100009991533 [0,1,0,1,0,0|1,0,1]=4 5981 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 2230a_100000701414_100000188475 [0,1,0,1,0,0|0,0,2]=4 5982 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 269982a_100000701414_100000188475 [0,1,0,1,0,0|0,0,2]=4 5983 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 34a_100000701414_100000188475 [0,1,0,1,0,0|0,0,2]=4 5984 B15R1.3880 CCCC1COCCN1CC(=O)OCC 2230a_102495339903_100000188475 [0,1,0,1,0,0|1,0,1]=4 5985 B15R1.3880 CCCC1COCCN1CC(=O)OCC 269982a_102495339903_100000188475 [0,1,0,1,0,0|1,0,1]=4 5986 B15R1.3880 CCCC1COCCN1CC(=O)OCC 34a_102495339903_100000188475 [0,1,0,1,0,0|1,0,1]=4 5987 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210303 [0,1,0,1,0,0|0,0,2]=4 5988 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210303 [0,1,0,1,0,0|0,0,2]=4 5989 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210326 [0,1,0,1,0,0|0,0,2]=4 5990 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210215 [0,1,0,1,0,0|0,0,2]=4 5991 B15R1.9209 CCCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210215 [0,1,0,1,0,0|1,0,1]=4 5992 B15R1.9209 CCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210211 [0,1,0,1,0,0|0,0,2]=4 5993 B15R1.10442 CCOC(=O)CCCCCCNC1CC1 34a_100000212008_100009814379 [0,1,0,1,0,0|0,0,2]=4 5994 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 2230a_100000735609_100000755133 [0,1,0,1,0,0|0,0,2]=4 5995 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 34a_100000735609_100000755133 [0,1,0,1,0,0|0,0,2]=4 5996 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 34a_100000211283_100000755133 [0,1,0,1,0,0|0,0,2]=4 5997 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 7a_100011214988_100000742324 [0,1,0,1,0,0|0,0,2]=4 5998 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000755133_100000742324 [0,1,0,1,0,0|0,0,2]=4 5999 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000756562_100000755133 [0,1,0,1,0,0|0,0,2]=4 6000 B15R1.10442 CCOC(=O)CCCCNCCC1CC1 34a_100000764129_100000750268 [0,1,0,1,0,0|0,0,2]=4 6001 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 34a_100000754188_100000750268 [0,1,0,1,0,0|0,0,2]=4 6002 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 7a_100000754188_100000750268 [0,1,0,1,0,0|0,0,2]=4 6003 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000750268_100000764125 [0,1,0,1,0,0|0,0,2]=4 6004 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000764125_100000750268 [0,1,0,1,0,0|0,0,2]=4 6005 B15R1.10442 CCOC(=O)CCCOCCCC1CO1 7a_100012001163_100000733510 [0,1,0,1,0,0|1,0,1]=4 6006 B15R1.10442 CCOC(=O)CCCOCCNC1CC1 34a_100000738766_100009991533 [0,1,0,1,0,0|1,0,1]=4 6007 B15R1.10442 CCOC(=O)CCCSCCCC1CO1 62a_100000733510_100009991533 [0,1,0,1,0,0|1,0,1]=4 6008 B15R1.10442 CCOC(=O)CCCSCCCC1CO1 62a_100009991533_100000733510 [0,1,0,1,0,0|1,0,1]=4 6009 B15R1.10442 CCOC(=O)COCCNCCC1CC1 34a_100000764129_100000088970 [0,1,0,1,0,0|1,0,1]=4 6010 B15R1.10442 CCOC(=O)COCCOCCC1CC1 34a_100000754188_100000088970 [0,1,0,1,0,0|1,0,1]=4 6011 B15R1.10442 CCOC(=O)COCCOCCC1CC1 7a_100000754188_100000088970 [0,1,0,1,0,0|1,0,1]=4 6012 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000088970_100000764125 [0,1,0,1,0,0|1,0,1]=4 6013 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000764125_100000088970 [0,1,0,1,0,0|1,0,1]=4 6014 B15R1.10442 CCOC(=O)CSCCOCCC1CC1 7a_200000230590_100000764125 [0,1,0,1,0,0|1,0,1]=4 6015 B15R1.12171 CCCCC/C=C/COCC(=O)C1CC1 34a_100016258190_100000746382 [0,1,0,1,0,0|1,0,0]=3 6016 B15R1.12171 CCCCC/C=C/COCC(=O)C1CC1 7a_100016258190_100000746382 [0,1,0,1,0,0|1,0,0]=3 6017 B15R1.3867 CCOC(=O)CCN1CCCC1C(C)C 2230a_100000762757_100011206558 [0,1,0,1,0,0|1,0,1]=4 6018 B15R1.3867 CCOC(=O)CCN1CCCC1C(C)C 269982a_100000762757_100011206558 [0,1,0,1,0,0|1,0,1]=4 6019 B15R1.3867 CCOC(=O)CCN1CCCC1C(C)C 34a_100000762757_100000765890 [0,1,0,1,0,0|1,0,1]=4 6020 B15R1.9904 CCOC(=O)CCCN1CCCC1(C)C 2230a_100000761399_100009991533 [0,1,0,1,0,0|1,0,1]=4 6021 B15R1.9904 CCOC(=O)CCCN1CCCC1(C)C 269982a_100000761399_100009991533 [0,1,0,1,0,0|1,0,1]=4 6022 B15R1.9904 CCOC(=O)CCCN1CCCC1(C)C 34a_100000761399_100009991533 [0,1,0,1,0,0|1,0,1]=4 6023 B15R1.9904 CCOC(=O)CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011206558 [0,1,0,1,0,0|1,0,1]=4 6024 B15R1.9904 CCOC(=O)CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000765890 [0,1,0,1,0,0|1,0,1]=4 6025 B15R1.9904 CCOC(=O)CCOC1CCCC1(C)C 34a_100000726220_100000765890 [0,1,0,1,0,0|1,0,1]=4 6026 B15R1.9904 CCOC(=O)CCOC1CCCC1(C)C 7a_100000726220_100011206558 [0,1,0,1,0,0|1,0,1]=4 6027 B15R1.10426 CCOC(=O)CCCOCC1CC1(C)C 34a_100000728257_100009991533 [0,1,0,1,0,0|1,0,1]=4 6028 B15R1.10426 CCOC(=O)CCCOCC1CC1(C)C 7a_100000728257_100011215271 [0,1,0,1,0,0|1,0,1]=4 6029 B15R1.157 CCOCC(=O)CCCC1CCCCC1 1458a_100000211967_100011713725 [0,1,0,1,0,0|0,0,2]=4 6030 B15R1.157 CCOCC(=O)CCCN1CCCCC1 1458a_100000211967_100000690320 [0,1,0,1,0,0|1,0,1]=4 6031 B15R1.157 CCOCC(=O)CCOC1CCCCC1 1458a_100000211967_100011211530 [0,1,0,1,0,0|1,0,1]=4 6032 B15R1.830 CCC=CC(=O)N1CC=CC1CCCC 11a_100015184376_100000212282 [0,1,0,1,0,0|2,0,0]=4 6033 B15R1.830 CCC=CC(=O)N1CC=CC1CCCC 1626a_100015184376_100000212282 [0,1,0,1,0,0|2,0,0]=4 6034 B15R1.830 CCC=CC(=O)N1CC=CC1CCCC 240690a_100015184376_100000212282 [0,1,0,1,0,0|2,0,0]=4 6035 B15R1.830 CCCCC(=O)N1CC=CC1CCCC 11a_100015184376_100000210183 [0,1,0,1,0,0|2,0,0]=4 6036 B15R1.830 CCCCC(=O)N1CC=CC1CCCC 1626a_100015184376_100000210183 [0,1,0,1,0,0|2,0,0]=4 6037 B15R1.830 CCCCC(=O)N1CC=CC1CCCC 240690a_100015184376_100000210183 [0,1,0,1,0,0|2,0,0]=4 6038 B15R1.830 CCCCC(=O)N1CC=CC1CCCC 527a_100015184376_100000210183 [0,1,0,1,0,0|2,0,0]=4 6039 B15R1.830 CCCCC1C=CCN1C(=O)CCOC 11a_100015184376_100000749529 [0,1,0,1,0,0|2,0,0]=4 6040 B15R1.830 CCCCC1C=CCN1C(=O)CCOC 1626a_100015184376_100000749529 [0,1,0,1,0,0|2,0,0]=4 6041 B15R1.830 CCCCC1C=CCN1C(=O)CCOC 240690a_100015184376_100000749529 [0,1,0,1,0,0|2,0,0]=4 6042 B15R1.830 CCCCC1C=CCN1C(=O)CCOC 527a_100015184376_100000749529 [0,1,0,1,0,0|2,0,0]=4 6043 B15R1.830 CCCCC1C=CCN1C(=O)CCSC 11a_100015184376_100000174002 [0,1,0,1,0,0|2,0,0]=4 6044 B15R1.830 CCCCC1C=CCN1C(=O)CCSC 1626a_100015184376_100000174002 [0,1,0,1,0,0|2,0,0]=4 6045 B15R1.830 CCCCC1C=CCN1C(=O)CCSC 240690a_100015184376_100000174002 [0,1,0,1,0,0|2,0,0]=4 6046 B15R1.830 CCCCC1C=CCN1C(=O)CCSC 527a_100015184376_100000174002 [0,1,0,1,0,0|2,0,0]=4 6047 B15R1.830 CCCCC1C=CCN1C(=O)COCC 11a_100015184376_100000211967 [0,1,0,1,0,0|1,0,0]=3 6048 B15R1.830 CCCCC1C=CCN1C(=O)COCC 1626a_100015184376_100000211967 [0,1,0,1,0,0|1,0,0]=3 6049 B15R1.830 CCCCC1C=CCN1C(=O)COCC 240690a_100015184376_100000211967 [0,1,0,1,0,0|1,0,0]=3 6050 B15R1.830 CCCCC1C=CCN1C(=O)COCC 527a_100015184376_100000211967 [0,1,0,1,0,0|1,0,0]=3 6051 B15R1.830 CCCCC1C=CCN1C(=O)CSCC 11a_100015184376_100000230394 [0,1,0,1,0,0|1,1,0]=4 6052 B15R1.830 CCCCC1C=CCN1C(=O)CSCC 1626a_100015184376_100000230394 [0,1,0,1,0,0|1,1,0]=4 6053 B15R1.830 CCCCC1C=CCN1C(=O)CSCC 240690a_100015184376_100000230394 [0,1,0,1,0,0|1,1,0]=4 6054 B15R1.830 CCCCC1C=CCN1C(=O)CSCC 527a_100015184376_100000230394 [0,1,0,1,0,0|1,1,0]=4 6055 B15R1.830 CCCCC1C=CCN1C(=O)NCCC 2708a_100020643023_100015184376 [0,1,0,1,0,0|2,0,0]=4 6056 B15R1.830 CCCCC1C=CCN1C(=O)NCCC 273464a_100020643023_100015184376 [0,1,0,1,0,0|2,0,0]=4 6057 B15R1.830 CCCCC1C=CCN1C(=O)NCCF 273464a_100000724931_100015184376 [0,1,0,1,0,0|2,0,0]=4 6058 B15R1.830 CCCCC1C=CCN1C(=O)NCCO 273464a_100000210304_100015184376 [0,1,0,1,0,0|2,0,0]=4 6059 B15R1.2207 CCOCC(=O)CCN1CCCCCC1 1458a_100000211967_100000722644 [0,1,0,1,0,0|1,0,1]=4 6060 B15R1.129 CCCCCC(=O)CN1CCOC(=O)C1 2230a_100000131268_200012276598 [0,1,0,1,0,0|1,0,1]=4 6061 B15R1.129 CCCCCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000212188 [0,1,0,1,0,0|2,0,0]=4 6062 B15R1.129 CCCCCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000212188 [0,1,0,1,0,0|2,0,0]=4 6063 B15R1.129 CCCCCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000212188 [0,1,0,1,0,0|2,0,0]=4 6064 B15R1.129 CCCCCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000212188 [0,1,0,1,0,0|2,0,0]=4 6065 B15R1.794 CCNC(=O)CCCC(=O)C1CCCC1 1458a_100000199580_100000179811 [0,1,0,1,0,0|1,0,1]=4 6066 B15R1.794 CCNC(=O)CCNC(=O)C1CCCC1 11a_100025743525_100000210718 [0,1,0,1,0,0|2,0,0]=4 6067 B15R1.794 CCNC(=O)CCNC(=O)C1CCCC1 1626a_100025743525_100000210718 [0,1,0,1,0,0|2,0,0]=4 6068 B15R1.794 CCNC(=O)CCNC(=O)C1CCCC1 240690a_100025743525_100000210718 [0,1,0,1,0,0|2,0,0]=4 6069 B15R1.794 CCNC(=O)CCNC(=O)C1CCCC1 527a_100025743525_100000210718 [0,1,0,1,0,0|2,0,0]=4 6070 B15R1.794 CCOC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215271 [0,1,0,1,0,0|0,0,1]=3 6071 B15R1.794 CCOC(=O)CCCC(=O)C1CCCC1 1458a_100000210991_100000179811 [0,1,0,1,0,0|0,0,1]=3 6072 B15R1.794 CCOC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100011215271 [0,1,0,1,0,0|1,0,1]=4 6073 B15R1.794 CCOC(=O)CCCC(=O)C1CCOC1 1458a_100000210991_100000690089 [0,1,0,1,0,0|1,0,1]=4 6074 B15R1.794 CCOC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100011215271 [0,1,0,1,0,0|1,0,1]=4 6075 B15R1.794 CCOC(=O)CCCC(=O)N1CCCC1 240690a_100000188435_100000210991 [0,1,0,1,0,0|1,0,1]=4 6076 B15R1.794 CCOC(=O)CCCC(=O)N1CCCC1 527a_100000188435_100000210991 [0,1,0,1,0,0|1,0,1]=4 6077 B15R1.794 CCOC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215271 [0,1,0,1,0,0|1,0,1]=4 6078 B15R1.794 CCOC(=O)CCCN(C)C1CCCC1 2230a_100000207505_100009991533 [0,1,0,1,0,0|1,0,1]=4 6079 B15R1.794 CCOC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100009991533 [0,1,0,1,0,0|1,0,1]=4 6080 B15R1.794 CCOC(=O)CCCN(C)C1CCCC1 34a_100000207505_100009991533 [0,1,0,1,0,0|1,0,1]=4 6081 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 188690a_100000746078_100000210718 [0,1,0,1,0,0|1,0,0]=3 6082 B15R1.794 CCOC(=O)CCNC(=O)C1CCCS1 188690a_100000746078_100012002731 [0,1,0,1,0,0|2,0,0]=4 6083 B15R1.794 CCOC(=O)CCNC(=O)C1CCOC1 188690a_100000746078_100011219752 [0,1,0,1,0,0|2,0,0]=4 6084 B15R1.794 CCOC(=O)CCNC(=O)[C@@H]1CCCO1 188690a_100000746078_100000686382 [0,1,0,1,0,0|2,0,0]=4 6085 B15R1.794 CCOC(=O)CCNC(C)C1CCCC1 2230a_100015185923_100011206558 [0,1,0,1,0,0|1,0,1]=4 6086 B15R1.794 CCOC(=O)CCNC(C)C1CCCC1 34a_100015185923_100000765890 [0,1,0,1,0,0|1,0,1]=4 6087 B15R1.794 CCOC(=O)CCOC(C)C1CCCC1 34a_100011216366_100000765890 [0,1,0,1,0,0|1,0,1]=4 6088 B15R1.794 CCOC(=O)CCOC(C)C1CCCC1 7a_100011216366_100011206558 [0,1,0,1,0,0|1,0,1]=4 6089 B15R1.794 CCOC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_200011445536 [0,1,0,1,0,0|1,0,1]=4 6090 B15R1.1378 CCCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210326 [0,1,0,1,0,0|0,0,1]=3 6091 B15R1.1378 CCCCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210326 [0,1,0,1,0,0|1,0,1]=4 6092 B15R1.1378 CCCCCC(=O)CSC1CCOC1=O 62a_100000211211_200012276598 [0,1,0,1,0,0|1,0,1]=4 6093 B15R1.1378 CCCCCC(=O)CSC1CCOC1=O 62a_200012276598_100000211211 [0,1,0,1,0,0|1,0,1]=4 6094 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 11a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 6095 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 1626a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 6096 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 240690a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 6097 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 527a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 6098 B15R1.1378 CCOCCC(=O)CCC1CCOC1=O 1458a_100000117037_100011215890 [0,1,0,1,0,0|1,0,1]=4 6099 B15R1.1378 CCSCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000757381 [0,1,0,1,0,0|1,0,1]=4 6100 B15R1.1378 COCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000740836 [0,1,0,1,0,0|1,0,1]=4 6101 B15R1.1378 O=C(CCCCF)CCC1CCOC1=O 1458a_100000117037_100000729493 [0,1,0,1,0,0|1,0,1]=4 6102 B15R1.1378 O=C(CCCCO)CCC1CCOC1=O 1458a_100000117037_100000210776 [0,1,0,1,0,0|1,0,1]=4 6103 B15R1.3248 CCCCCC(=O)N1CCNC(=O)CC1 11a_100000698595_100000212188 [0,1,0,1,0,0|2,0,0]=4 6104 B15R1.3248 CCCCCC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000212188 [0,1,0,1,0,0|2,0,0]=4 6105 B15R1.3248 CCCCCC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000212188 [0,1,0,1,0,0|2,0,0]=4 6106 B15R1.3248 CCCCCC(=O)N1CCNC(=O)CC1 527a_100000698595_100000212188 [0,1,0,1,0,0|2,0,0]=4 6107 B15R1.3315 CCCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210326 [0,1,0,1,0,0|0,0,1]=3 6108 B15R1.3315 CCCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100000102301_100009818562 [0,1,0,1,0,0|1,0,1]=4 6109 B15R1.3315 CCCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100000102301_100009818562 [0,1,0,1,0,0|1,0,1]=4 6110 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCCF 1458a_100009818562_100000729493 [0,1,0,1,0,0|1,0,1]=4 6111 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCCO 1458a_100009818562_100000210776 [0,1,0,1,0,0|1,0,1]=4 6112 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCOC 1458a_100009818562_100000740836 [0,1,0,1,0,0|1,0,1]=4 6113 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCSCC 1458a_100009818562_100000757381 [0,1,0,1,0,0|1,0,1]=4 6114 B15R1.3315 CCOCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100011215890 [0,1,0,1,0,0|1,0,1]=4 6115 B15R1.10433 CCNC(=O)CCNC(=O)C1CC1CC 11a_100025743525_200011661523 [0,1,0,1,0,0|2,0,0]=4 6116 B15R1.10433 CCNC(=O)CCNC(=O)C1CC1CC 1626a_100025743525_200011661523 [0,1,0,1,0,0|2,0,0]=4 6117 B15R1.10433 CCNC(=O)CCNC(=O)C1CC1CC 240690a_100025743525_200011661523 [0,1,0,1,0,0|2,0,0]=4 6118 B15R1.10433 CCNC(=O)CCNC(=O)C1CC1CC 527a_100025743525_200011661523 [0,1,0,1,0,0|2,0,0]=4 6119 B15R1.10433 CCOC(=O)CCCC(=O)C1CC1CC 1458a_200011661523_100011215271 [0,1,0,1,0,0|0,0,1]=3 6120 B15R1.10433 CCOC(=O)CCNC(=O)C1CC1CC 188690a_100000746078_200011661523 [0,1,0,1,0,0|1,0,0]=3 6121 B15R1.10433 CCOC(=O)NCCC(=O)C1CC1CC 1458a_200011661523_200011445536 [0,1,0,1,0,0|1,0,1]=4 6122 B15R1.10435 CCNC(=O)CCCC(=O)CC1CCC1 1458a_100000199580_100000763275 [0,1,0,1,0,0|1,0,1]=4 6123 B15R1.10435 CCNC(=O)CCNC(=O)CC1CCC1 11a_100025743525_100000763092 [0,1,0,1,0,0|2,0,0]=4 6124 B15R1.10435 CCNC(=O)CCNC(=O)CC1CCC1 1626a_100025743525_100000763092 [0,1,0,1,0,0|2,0,0]=4 6125 B15R1.10435 CCNC(=O)CCNC(=O)CC1CCC1 240690a_100025743525_100000763092 [0,1,0,1,0,0|2,0,0]=4 6126 B15R1.10435 CCNC(=O)CCNC(=O)CC1CCC1 527a_100025743525_100000763092 [0,1,0,1,0,0|2,0,0]=4 6127 B15R1.10435 CCOC(=O)CCCC(=O)CC1CCC1 1458a_100000210991_100000763275 [0,1,0,1,0,0|0,0,1]=3 6128 B15R1.10435 CCOC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215271 [0,1,0,1,0,0|0,0,1]=3 6129 B15R1.10435 CCOC(=O)CCCC(=O)CC1CCO1 1458a_100000210991_100000103362 [0,1,0,1,0,0|1,0,1]=4 6130 B15R1.10435 CCOC(=O)CCCC(=O)CC1COC1 1458a_100000210991_100010264016 [0,1,0,1,0,0|1,0,1]=4 6131 B15R1.10435 CCOC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100011215271 [0,1,0,1,0,0|1,0,1]=4 6132 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 11a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 6133 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 1626a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 6134 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 240690a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 6135 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 527a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 6136 B15R1.10435 CCOC(=O)CCCN(C)CC1CCC1 2230a_200000750244_100009991533 [0,1,0,1,0,0|1,0,1]=4 6137 B15R1.10435 CCOC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100009991533 [0,1,0,1,0,0|1,0,1]=4 6138 B15R1.10435 CCOC(=O)CCCN(C)CC1CCC1 34a_200000750244_100009991533 [0,1,0,1,0,0|1,0,1]=4 6139 B15R1.10435 CCOC(=O)CCNC(=O)CC1CCC1 188690a_100000746078_100000763092 [0,1,0,1,0,0|1,0,0]=3 6140 B15R1.10435 CCOC(=O)CCNC(=O)CC1COC1 188690a_100000746078_100000687760 [0,1,0,1,0,0|2,0,0]=4 6141 B15R1.10435 CCOC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_200011445536 [0,1,0,1,0,0|1,0,1]=4 6142 B15R1.10436 CCNC(=O)CCCC(=O)CCC1CC1 1458a_100000199580_100000694398 [0,1,0,1,0,0|1,0,1]=4 6143 B15R1.10436 CCNC(=O)CCNC(=O)CCC1CC1 11a_100025743525_100000756386 [0,1,0,1,0,0|2,0,0]=4 6144 B15R1.10436 CCNC(=O)CCNC(=O)CCC1CC1 1626a_100025743525_100000756386 [0,1,0,1,0,0|2,0,0]=4 6145 B15R1.10436 CCNC(=O)CCNC(=O)CCC1CC1 240690a_100025743525_100000756386 [0,1,0,1,0,0|2,0,0]=4 6146 B15R1.10436 CCNC(=O)CCNC(=O)CCC1CC1 527a_100025743525_100000756386 [0,1,0,1,0,0|2,0,0]=4 6147 B15R1.10436 CCOC(=O)CCCC(=O)CCC1CC1 1458a_100000210991_100000694398 [0,1,0,1,0,0|0,0,1]=3 6148 B15R1.10436 CCOC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215271 [0,1,0,1,0,0|0,0,1]=3 6149 B15R1.10436 CCOC(=O)CCCC(=O)CCC1CO1 1458a_100000210991_100000732470 [0,1,0,1,0,0|1,0,1]=4 6150 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 11a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 6151 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 1626a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 6152 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 240690a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 6153 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 527a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 6154 B15R1.10436 CCOC(=O)CCNC(=O)CCC1CC1 188690a_100000746078_100000756386 [0,1,0,1,0,0|1,0,0]=3 6155 B15R1.10436 CCOC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_200011445536 [0,1,0,1,0,0|1,0,1]=4 6156 B15R1.10437 CCOC(=O)CCCC(=O)N1CCC1C 11a_100000755817_100000210991 [0,1,0,1,0,0|1,0,1]=4 6157 B15R1.10437 CCOC(=O)CCCC(=O)N1CCC1C 240690a_100000755817_100000210991 [0,1,0,1,0,0|1,0,1]=4 6158 B15R1.10437 CCOC(=O)CCCC(=O)N1CCC1C 527a_100000755817_100000210991 [0,1,0,1,0,0|1,0,1]=4 6159 B15R1.36731 CCOC(=O)CCN1C(CCCC1C)C 2230a_100000210447_100011206558 [0,1,0,1,0,0|1,0,1]=4 6160 B15R1.36731 CCOC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100011206558 [0,1,0,1,0,0|1,0,1]=4 6161 B15R1.36731 CCOC(=O)CCN1C(CCCC1C)C 34a_100000210447_100000765890 [0,1,0,1,0,0|1,0,1]=4 6162 B15R1.45797 CCOC(=O)CCNC1(CCCCC1)C 2230a_100000741114_100011206558 [0,1,0,1,0,0|1,0,1]=4 6163 B15R1.45797 CCOC(=O)CCNC1(CCCCC1)C 34a_100000741114_100000765890 [0,1,0,1,0,0|1,0,1]=4 6164 B15R1.45797 CCOC(=O)CCOC1(CCCCC1)C 34a_100011215885_100000765890 [0,1,0,1,0,0|1,0,1]=4 6165 B15R1.45797 CCOC(=O)CCOC1(CCCCC1)C 7a_100011215885_100011206558 [0,1,0,1,0,0|1,0,1]=4 6166 B15R2.3519 CCOC(=O)CCN1C2CCC1CC2 2230a_100000735658_100011206558 [0,0,0,2,0,0|1,0,1]=4 6167 B15R2.3519 CCOC(=O)CCN1C2CCC1CC2 269982a_100000735658_100011206558 [0,0,0,2,0,0|1,0,1]=4 6168 B15R2.3519 CCOC(=O)CCN1C2CCC1CC2 34a_100000735658_100000765890 [0,0,0,2,0,0|1,0,1]=4 6169 B15R2.17323 CCOC(=O)CCCN1CC2CC2C1 2230a_100000741873_100009991533 [0,0,0,2,0,0|1,0,1]=4 6170 B15R2.17323 CCOC(=O)CCCN1CC2CC2C1 269982a_100000741873_100009991533 [0,0,0,2,0,0|1,0,1]=4 6171 B15R2.17323 CCOC(=O)CCCN1CC2CC2C1 34a_100000741873_100009991533 [0,0,0,2,0,0|1,0,1]=4 6172 B15R2.73595 CCOC(=O)CCOC1CCC2C1C2 34a_200012295571_100000765890 [0,0,0,2,0,0|1,0,1]=4 6173 B15R2.17289 CCOC(=O)CCN1CC2CCC1C2 2230a_100000743476_100011206558 [0,0,0,2,0,0|1,0,1]=4 6174 B15R2.17289 CCOC(=O)CCN1CC2CCC1C2 269982a_100000743476_100011206558 [0,0,0,2,0,0|1,0,1]=4 6175 B15R2.17289 CCOC(=O)CCN1CC2CCC1C2 34a_100000743476_100000765890 [0,0,0,2,0,0|1,0,1]=4 6176 B15R2.19730 CCCCC1C=CCN1C(=O)C2CC2 11a_100015184376_100000210395 [0,0,0,2,0,0|2,0,0]=4 6177 B15R2.19730 CCCCC1C=CCN1C(=O)C2CC2 1626a_100015184376_100000210395 [0,0,0,2,0,0|2,0,0]=4 6178 B15R2.19730 CCCCC1C=CCN1C(=O)C2CC2 240690a_100015184376_100000210395 [0,0,0,2,0,0|2,0,0]=4 6179 B15R2.19730 CCCCC1C=CCN1C(=O)C2CC2 527a_100015184376_100000210395 [0,0,0,2,0,0|2,0,0]=4 6180 B15R2.4352 CCOC(=O)CCN1CCCC12CC2 2230a_100020620911_100011206558 [0,0,0,2,0,0|1,0,1]=4 6181 B15R2.4352 CCOC(=O)CCN1CCCC12CC2 269982a_100020620911_100011206558 [0,0,0,2,0,0|1,0,1]=4 6182 B15R2.4352 CCOC(=O)CCN1CCCC12CC2 34a_100020620911_100000765890 [0,0,0,2,0,0|1,0,1]=4